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

Systemtic Name: N-(3-methylphenyl)-2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzoylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-N-(m-tolyl)acetamide CAS Name: 2-[[2-(4-benzoyl-1-piperazinyl)-2-oxoethyl]thio]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide Traditional Name: 2-[[2-(4-benzoylpiperazino)-2-keto-ethyl]thio]-N-(m-tolyl)acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-17-6-5-9-19(14-17)23-20(26)15-29-16-21(27)24-10-12-25(13-11-24)22(28)18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3,(H,23,26)