methyl 4-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[2-(methylamino)-2-oxidanylidene-ethyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-[2-(methylamino)-2-oxo-ethyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-[2-(methylamino)-2-oxoethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-[2-keto-2-(methylamino)ethyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-20-16(23)11-12-3-9-15(10-4-12)21-19(27)22-17(24)13-5-7-14(8-6-13)18(25)26-2/h3-10H,11H2,1-2H3,(H,20,23)(H2,21,22,24,27)