methyl 4-(2,2-diphenylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2,2-diphenylethylcarbamothioylamino)benzoate Openeye Name: methyl 4-(2,2-diphenylethylcarbamothioylamino)benzoate CAS Name: 4-[[(2,2-diphenylethylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2,2-diphenylethylcarbamothioylamino)benzoate Traditional Name: 4-(2,2-diphenylethylthiocarbamoylamino)benzoic acid methyl ester Formula: C23H22N2O2S MolecularWeight: 390.49798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S/c1-27-22(26)19-12-14-20(15-13-19)25-23(28)24-16-21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,16H2,1H3,(H2,24,25,28)