4-methoxy-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[(4-phenylphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methoxy-3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methoxy-3-[[[[oxo-(4-phenylphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(4-phenylbenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methoxy-3-[(4-phenylbenzoyl)thiocarbamoylamino]benzoic acid Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4S/c1-28-19-12-11-17(21(26)27)13-18(19)23-22(29)24-20(25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H,26,27)(H2,23,24,25,29)