methyl 3-[[(4-phenylphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[(4-phenylphenyl)carbonylamino]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[(4-phenylbenzoyl)amino]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(4-phenylbenzoyl)amino]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[(4-phenylbenzoyl)amino]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O4S/c1-30-22(29)19-9-5-8-18(14-19)20(27)24-23(31)26-25-21(28)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-14H,1H3,(H,25,28)(H2,24,26,27,31)