methyl 3-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H23N3O4S/c1-15-11-12-19(13-16(15)2)26-23(30)20-9-4-5-10-21(20)27-25(33)28-22(29)17-7-6-8-18(14-17)24(31)32-3/h4-14H,1-3H3,(H,26,30)(H2,27,28,29,33)