2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(2-methyl-1-piperidyl)ethanone CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-1-(2-methylpiperidino)ethanone Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-15-7-5-6-12-24(15)21(27)14-31-22-23-17-13-16(26(28)29)10-11-18(17)25(22)19-8-3-4-9-20(19)30-2/h3-4,8-11,13,15H,5-7,12,14H2,1-2H3