methyl 6-[[phenyl-(phenylmethyl)amino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[phenyl-(phenylmethyl)amino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(N-benzylanilino)carbamothioylamino]hexanoate CAS Name: 6-[[[2-phenyl-2-(phenylmethyl)hydrazinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(N-benzylanilino)carbamothioylamino]hexanoate Traditional Name: 6-[(N-benzylanilino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NN(CC1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)NN(CC1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-26-20(25)15-9-4-10-16-22-21(27)23-24(19-13-7-3-8-14-19)17-18-11-5-2-6-12-18/h2-3,5-8,11-14H,4,9-10,15-17H2,1H3,(H2,22,23,27)