methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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