N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoyl]-3-nitro-benzamide Openeye Name: N-[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]-3-nitro-benzamide CAS Name: N-[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]-3-nitrobenzamide Traditional Name: N-[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]-3-nitro-benzamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-13(2)11-23-17-9-4-3-8-16(17)21-20(23)29-12-18(25)22-19(26)14-6-5-7-15(10-14)24(27)28/h3-10,13H,11-12H2,1-2H3,(H,22,25,26)