N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide Formula: C18H14N4O6S MolecularWeight: 414.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])OCO2

InChI

InChI=1S/C18H14N4O6S/c1-9(23)11-5-15-16(28-8-27-15)6-13(11)19-17(24)7-29-18-20-12-3-2-10(22(25)26)4-14(12)21-18/h2-6H,7-8H2,1H3,(H,19,24)(H,20,21)