N-[(2S)-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-oxo-2-(4-phenylpiperazin-1-yl)-1-(p-tolylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-3-[(4-methylphenyl)thio]-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]acetamide IUPAC Name: N-[(2S)-3-(4-methylphenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide Traditional Name: N-[(1S)-2-keto-2-(4-phenylpiperazino)-1-[(p-tolylthio)methyl]ethyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N2CCN(CC2)C3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C22H27N3O2S/c1-17-8-10-20(11-9-17)28-16-21(23-18(2)26)22(27)25-14-12-24(13-15-25)19-6-4-3-5-7-19/h3-11,21H,12-16H2,1-2H3,(H,23,26)/t21-/m1/s1