N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NCCC4=CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)NCCC4=CCCCC4

InChI

InChI=1S/C24H26N4O4S/c1-32-22-10-6-5-9-21(22)27-20-12-11-18(28(30)31)15-19(20)26-24(27)33-16-23(29)25-14-13-17-7-3-2-4-8-17/h5-7,9-12,15H,2-4,8,13-14,16H2,1H3,(H,25,29)