4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-ylthio)-1-[4-(2,3-dimethylphenyl)piperazino]butan-1-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCCSC3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C23H28N4OS/c1-17-7-5-10-21(18(17)2)26-12-14-27(15-13-26)22(28)11-6-16-29-23-24-19-8-3-4-9-20(19)25-23/h3-5,7-10H,6,11-16H2,1-2H3,(H,24,25)