tert-butyl 4-[(diphenylmethyl)carbamothioylamino]butanoate

Systemtic Name: tert-butyl 4-[(diphenylmethyl)carbamothioylamino]butanoate Openeye Name: tert-butyl 4-(benzhydrylcarbamothioylamino)butanoate CAS Name: 4-[[[(diphenylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-(benzhydrylcarbamothioylamino)butanoate Traditional Name: 4-(benzhydrylthiocarbamoylamino)butyric acid tert-butyl ester Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CCCNC(=S)NC(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H28N2O2S/c1-22(2,3)26-19(25)15-10-16-23-21(27)24-20(17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,20H,10,15-16H2,1-3H3,(H2,23,24,27)