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

Systemtic Name: 2-chloranyl-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[3-[4-(4-methoxyphenyl)piperazino]propyl]-5-(methylthio)benzamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C22H28ClN3O2S/c1-28-18-6-4-17(5-7-18)26-14-12-25(13-15-26)11-3-10-24-22(27)20-16-19(29-2)8-9-21(20)23/h4-9,16H,3,10-15H2,1-2H3,(H,24,27)