1-(3,5-dimethylpiperidin-1-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(3,5-dimethyl-1-piperidyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(3,5-dimethyl-1-piperidinyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(3,5-dimethylpiperidin-1-yl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(3,5-dimethylpiperidino)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]ethanone Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C23H26N4O4S/c1-15-10-16(2)13-25(12-15)22(28)14-32-23-24-18-11-17(27(29)30)8-9-19(18)26(23)20-6-4-5-7-21(20)31-3/h4-9,11,15-16H,10,12-14H2,1-3H3