2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-1-pyrrolidino-propan-1-one Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

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