methyl 4-[bis(phenylmethyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[bis(phenylmethyl)carbamothioylamino]benzoate Openeye Name: methyl 4-(dibenzylcarbamothioylamino)benzoate CAS Name: 4-[[[bis(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(dibenzylcarbamothioylamino)benzoate Traditional Name: 4-(dibenzylthiocarbamoylamino)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)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

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