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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H15N3O3S/c1-10-2-4-12-13(6-10)20-17(19-12)24-8-16(21)18-11-3-5-14-15(7-11)23-9-22-14/h2-7H,8-9H2,1H3,(H,18,21)(H,19,20)/p+1