2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromo-2,5-dimethyl-phenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]-1-[4-(2,3-dimethylphenyl)piperazino]ethanone Formula: C22H27BrN2OS MolecularWeight: 447.43158

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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)C)Br)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2OS/c1-15-6-5-7-20(18(15)4)24-8-10-25(11-9-24)22(26)14-27-21-13-16(2)19(23)12-17(21)3/h5-7,12-13H,8-11,14H2,1-4H3