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

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-1-piperidino-ethanone Formula: C21H22N4O4S MolecularWeight: 426.48878

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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)N4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N4CCCCC4

InChI

InChI=1S/C21H22N4O4S/c1-29-19-8-4-3-7-18(19)24-17-10-9-15(25(27)28)13-16(17)22-21(24)30-14-20(26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3