methyl 3-[[2-(dimethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(dimethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[2-(dimethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[2-[dimethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(dimethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[2-(dimethylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

CN(C)C(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C19H19N3O4S/c1-22(2)17(24)14-9-4-5-10-15(14)20-19(27)21-16(23)12-7-6-8-13(11-12)18(25)26-3/h4-11H,1-3H3,(H2,20,21,23,27)