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

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-(1-isobutylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[(1-isobutylbenzimidazol-2-yl)thio]acetamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN4O3S/c1-12(2)10-23-17-6-4-3-5-16(17)22-19(23)28-11-18(25)21-15-8-7-13(24(26)27)9-14(15)20/h3-9,12H,10-11H2,1-2H3,(H,21,25)