4-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: 4-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: 4-[(4-phenylbenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[(4-phenylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-phenylbenzoyl)thiocarbamoylamino]benzoate Formula: C21H15N2O3S- MolecularWeight: 375.4204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H16N2O3S/c24-19(16-8-6-15(7-9-16)14-4-2-1-3-5-14)23-21(27)22-18-12-10-17(11-13-18)20(25)26/h1-13H,(H,25,26)(H2,22,23,24,27)/p-1