N-(4-ethoxy-2-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(4-ethoxy-2-nitrophenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(4-ethoxy-2-nitrophenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(4-ethoxy-2-nitro-phenyl)-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H19N4O4S+ MolecularWeight: 387.43286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-3-26-12-8-9-14(16(10-12)22(24)25)19-17(23)11-27-18-20-13-6-4-5-7-15(13)21(18)2/h4-10H,3,11H2,1-2H3,(H,19,23)/p+1