N-[(2S)-1-[4-(2-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[4-(2-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: N-[(2S)-1-[4-(2-methylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[4-(2-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: N-[(1S)-3-(methylthio)-1-[4-(o-tolyl)piperazine-1-carbonyl]propyl]benzamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-18-8-6-7-11-21(18)25-13-15-26(16-14-25)23(28)20(12-17-29-2)24-22(27)19-9-4-3-5-10-19/h3-11,20H,12-17H2,1-2H3,(H,24,27)/t20-/m0/s1