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

Systemtic Name: N-[(2S)-3-(4-methylphenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1S)-2-(4-benzylpiperazin-1-yl)-2-oxo-1-(p-tolylsulfanylmethyl)ethyl]acetamide CAS Name: N-[(2S)-3-[(4-methylphenyl)thio]-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]acetamide IUPAC Name: N-[(2S)-1-(4-benzylpiperazin-1-yl)-3-(4-methylphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1S)-2-(4-benzylpiperazino)-2-keto-1-[(p-tolylthio)methyl]ethyl]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC[C@H](C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C23H29N3O2S/c1-18-8-10-21(11-9-18)29-17-22(24-19(2)27)23(28)26-14-12-25(13-15-26)16-20-6-4-3-5-7-20/h3-11,22H,12-17H2,1-2H3,(H,24,27)/t22-/m1/s1