N,N-dicyclohexyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N,N-dicyclohexyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N,N-dicyclohexyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N,N-dicyclohexyl-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]acetamide IUPAC Name: N,N-dicyclohexyl-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylacetamide Traditional Name: N,N-dicyclohexyl-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]acetamide Formula: C28H34N4O4S MolecularWeight: 522.65896

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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)N(C4CCCCC4)C5CCCCC5

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SCC(=O)N(C4CCCCC4)C5CCCCC5

InChI

InChI=1S/C28H34N4O4S/c1-36-26-15-9-8-14-25(26)31-24-17-16-22(32(34)35)18-23(24)29-28(31)37-19-27(33)30(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h8-9,14-18,20-21H,2-7,10-13,19H2,1H3