(3,5-dimethylphenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone

Systemtic Name: (3,5-dimethylphenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Openeye Name: (3,5-dimethylphenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone CAS Name: (3,5-dimethylphenyl)-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methanone IUPAC Name: (3,5-dimethylphenyl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Traditional Name: (3,5-dimethylphenyl)-[4-[2-(phenylthio)ethyl]piperazino]methanone Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCSC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2OS/c1-17-14-18(2)16-19(15-17)21(24)23-10-8-22(9-11-23)12-13-25-20-6-4-3-5-7-20/h3-7,14-16H,8-13H2,1-2H3