1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one Openeye Name: 3-benzylsulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-(phenylmethylthio)-1-propanone IUPAC Name: 3-benzylsulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(benzylthio)-1-[4-(2,3-dimethylphenyl)piperazino]propan-1-one Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N2OS/c1-18-7-6-10-21(19(18)2)23-12-14-24(15-13-23)22(25)11-16-26-17-20-8-4-3-5-9-20/h3-10H,11-17H2,1-2H3