methyl 4-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(4-phenylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-phenylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c1-27-21(26)18-11-13-19(14-12-18)23-22(28)24-20(25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3,(H2,23,24,25,28)