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

Systemtic Name: N-(3-methylphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: N-(3-methylphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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