null CDK 0225161900 null 29 31 0 0 0 0 0 0 0 0999 V2000 -2.9033 -5.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 -4.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -3.6937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7171 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8966 -2.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4117 -3.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7473 -4.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 -3.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1787 -2.7205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -2.8920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 -4.0481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.1250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 2 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 22 28 1 0 0 0 0 28 29 1 0 0 0 0 M END > CHEBI:114986 > N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]acetamide > 2 > C21H23N3O4S > 413.492 > 413.14093 > 0 > CC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)NCCC3=CC(=C(C=C3)OC)OC > InChI=1S/C21H23N3O4S/c1-14-5-4-6-16(11-14)20-23-24-21(28-20)29-13-19(25)22-10-9-15-7-8-17(26-2)18(12-15)27-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,25) > JDSTZSYKWPWHOA-UHFFFAOYSA-N > LSM-26448 $$$$