2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-phenyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-phenyl-N-propan-2-yl-ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-isopropyl-N-phenyl-acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-phenyl-N-propan-2-ylacetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-isopropyl-N-phenyl-acetamide Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C18H19N3OS/c1-13(2)21(14-8-4-3-5-9-14)17(22)12-23-18-19-15-10-6-7-11-16(15)20-18/h3-11,13H,12H2,1-2H3,(H,19,20)/p+1