2-chloranyl-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[3-methylsulfanyl-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]benzamide CAS Name: 2-chloro-N-[1-[4-(3-methylphenyl)-1-piperazinyl]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[1-[4-(3-methylphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[3-(methylthio)-1-[4-(m-tolyl)piperazine-1-carbonyl]propyl]benzamide Formula: C23H28ClN3O2S MolecularWeight: 446.00532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C(CCSC)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H28ClN3O2S/c1-17-6-5-7-18(16-17)26-11-13-27(14-12-26)23(29)21(10-15-30-2)25-22(28)19-8-3-4-9-20(19)24/h3-9,16,21H,10-15H2,1-2H3,(H,25,28)