methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(3-benzyloxyphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[(3-phenylmethoxyanilino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(3-phenylmethoxyphenyl)carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(3-benzoxyphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S/c1-28-22(27)18-10-5-9-17(13-18)21(26)25-23(30)24-19-11-6-12-20(14-19)29-15-16-7-3-2-4-8-16/h2-14H,15H2,1H3,(H2,24,25,26,30)