N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]-3-phenylsulfanyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-2-oxo-1-(phenylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]-3-(phenylthio)propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylsulfanylpropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzylpiperazino)-2-keto-1-[(phenylthio)methyl]ethyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-18(26)23-21(17-28-20-10-6-3-7-11-20)22(27)25-14-12-24(13-15-25)16-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3,(H,23,26)/t21-/m1/s1