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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-2-(4-chlorophenyl)sulfanyl-butan-1-one CAS Name: 2-[(4-chlorophenyl)thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylbutan-1-one Traditional Name: 1-(4-benzylpiperidino)-2-[(4-chlorophenyl)thio]butan-1-one Formula: C22H26ClNOS MolecularWeight: 387.96594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClNOS/c1-2-21(26-20-10-8-19(23)9-11-20)22(25)24-14-12-18(13-15-24)16-17-6-4-3-5-7-17/h3-11,18,21H,2,12-16H2,1H3