null CDK 0224162333 null 28 31 0 0 0 0 0 0 0 0999 V2000 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -0.6855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 -1.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 0.2410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2243 1.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 2.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 2.1533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2863 2.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 3.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 3.8631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2493 3.7769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4208 2.9699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 2.5574 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8995 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1544 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9614 -0.8867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2163 -1.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 2 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 9 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 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 20 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 M END > CHEBI:109636 > 2-(2-methoxyethyl)-9-methyl-1-oxo-N-(thiophen-2-ylmethyl)-4-pyrido[3,4-b]indolecarboxamide > 2 > C21H21N3O3S > 395.477 > 395.13036 > 0 > CN1C2=CC=CC=C2C3=C1C(=O)N(C=C3C(=O)NCC4=CC=CS4)CCOC > InChI=1S/C21H21N3O3S/c1-23-17-8-4-3-7-15(17)18-16(20(25)22-12-14-6-5-11-28-14)13-24(9-10-27-2)21(26)19(18)23/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,25) > MDEDRWLOWXJCQI-UHFFFAOYSA-N > LSM-21064 $$$$