4-(2,2-diphenylethanoylcarbamothioylamino)benzoate

Systemtic Name: 4-(2,2-diphenylethanoylcarbamothioylamino)benzoate Openeye Name: 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 4-[(2,2-diphenylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,2-diphenylacetyl)thiocarbamoylamino]benzoate Formula: C22H17N2O3S- MolecularWeight: 389.44698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c25-20(24-22(28)23-18-13-11-17(12-14-18)21(26)27)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,19H,(H,26,27)(H2,23,24,25,28)/p-1