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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C18H18N3O4S+ MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O4S/c1-2-23-12-4-5-13-14(8-12)21-18(20-13)26-9-17(22)19-11-3-6-15-16(7-11)25-10-24-15/h3-8H,2,9-10H2,1H3,(H,19,22)(H,20,21)/p+1