2-(4-chlorophenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(phenylmethyl)piperazin-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)sulfanyl-butan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)sulfanylbutan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-[(4-chlorophenyl)thio]butan-1-one Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2OS/c1-2-20(26-19-10-8-18(22)9-11-19)21(25)24-14-12-23(13-15-24)16-17-6-4-3-5-7-17/h3-11,20H,2,12-16H2,1H3