2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-isopropyl-N-phenyl-acetamide CAS Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-3-ium-2-yl)thio]-N-isopropyl-N-phenyl-acetamide Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H23N3O2S/c1-4-25-16-10-11-17-18(12-16)22-20(21-17)26-13-19(24)23(14(2)3)15-8-6-5-7-9-15/h5-12,14H,4,13H2,1-3H3,(H,21,22)/p+1