methyl 3-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3-carbamoyl-4,5-dimethyl-2-thienyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC)C

InChI

InChI=1S/C17H17N3O4S2/c1-8-9(2)26-15(12(8)13(18)21)20-17(25)19-14(22)10-5-4-6-11(7-10)16(23)24-3/h4-7H,1-3H3,(H2,18,21)(H2,19,20,22,25)