2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-isobutylbenzimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-isobutylbenzimidazol-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3S/c1-17(2)15-27-21-6-4-3-5-20(21)24-23(27)32-16-22(29)26-13-11-25(12-14-26)18-7-9-19(10-8-18)28(30)31/h3-10,17H,11-16H2,1-2H3