N-[(2R)-3-(4-butylphenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide

Systemtic Name: N-[(2R)-3-(4-butylphenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1R)-2-(4-benzhydrylpiperazin-1-yl)-1-[(4-butylphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2R)-3-[(4-butylphenyl)thio]-1-[4-(diphenylmethyl)-1-piperazinyl]-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-butylphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1R)-2-(4-benzhydrylpiperazino)-1-[[(4-butylphenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C32H39N3O2S MolecularWeight: 529.73596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@@H](C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

InChI

InChI=1S/C32H39N3O2S/c1-3-4-11-26-16-18-29(19-17-26)38-24-30(33-25(2)36)32(37)35-22-20-34(21-23-35)31(27-12-7-5-8-13-27)28-14-9-6-10-15-28/h5-10,12-19,30-31H,3-4,11,20-24H2,1-2H3,(H,33,36)/t30-/m0/s1