2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(2-chlorophenyl)methylthio]-1-[4-(2,5-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(2-chlorobenzyl)thio]-1-[4-(2,5-dimethylphenyl)piperazino]ethanone Formula: C21H25ClN2OS MolecularWeight: 388.954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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