N-(2-methoxy-4-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-(1-isobutylbenzimidazol-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: 2-[(1-isobutylbenzimidazol-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H22N4O4S/c1-13(2)11-23-17-7-5-4-6-15(17)22-20(23)29-12-19(25)21-16-9-8-14(24(26)27)10-18(16)28-3/h4-10,13H,11-12H2,1-3H3,(H,21,25)