CHEBI:93889 - 1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea

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ChEBI Name 1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea
ChEBI ID CHEBI:93889
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H16N2O2S2
Net Charge 0
Average Mass 320.432
Monoisotopic Mass 320.06532
InChI InChI=1S/C15H16N2O2S2/c1-19-13-8-6-7-12(11-13)16-15(20)17-21(2,18)14-9-4-3-5-10-14/h3-11H,1-2H3,(H,16,20)
InChIKey PPAVPESGPMLZGM-UHFFFAOYSA-N
SMILES COC1=CC=CC(=C1)NC(=S)N=S(=O)(C)C2=CC=CC=C2
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea (CHEBI:93889) is a methoxybenzenes (CHEBI:51683)
1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea (CHEBI:93889) is a substituted aniline (CHEBI:48975)
Manual Xref Database
LSM-4464 LINCS
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