methyl 4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC(CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H20N2O5S/c1-26-18(24)15-10-8-14(9-11-15)17(23)22-20(28)21-16(19(25)27-2)12-13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H2,21,22,23,28)