2-chloranyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-5-methylsulfanyl-benzamide

Systemtic Name: 2-chloranyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-5-methylsulfanyl-N-[2-[4-(m-tolyl)piperazin-1-yl]ethyl]benzamide CAS Name: 2-chloro-N-[2-[4-(3-methylphenyl)-1-piperazinyl]ethyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-5-(methylthio)-N-[2-[4-(m-tolyl)piperazino]ethyl]benzamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-16-4-3-5-17(14-16)25-12-10-24(11-13-25)9-8-23-21(26)19-15-18(27-2)6-7-20(19)22/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)