2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-chlorobenzyl)thio]-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSCC3=CC=CC=C3Cl)C

InChI

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