2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C21H25BrN2OS MolecularWeight: 433.405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)Br)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=C(C=C(C=C3)Br)C)C

InChI

InChI=1S/C21H25BrN2OS/c1-15-5-4-6-19(17(15)3)23-9-11-24(12-10-23)21(25)14-26-20-8-7-18(22)13-16(20)2/h4-8,13H,9-12,14H2,1-3H3