2-[2-(2-cyclohexylethyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide

Systemtic Name: 2-[2-(2-cyclohexylethyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide Openeye Name: 2-[2-(2-cyclohexylethyl)-3H-benzimidazol-1-ium-1-yl]thioacetamide CAS Name: 2-[2-(2-cyclohexylethyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide IUPAC Name: 2-[2-(2-cyclohexylethyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide Traditional Name: 2-[2-(2-cyclohexylethyl)-3H-benzimidazol-1-ium-1-yl]thioacetamide Formula: C17H24N3S+ MolecularWeight: 302.45756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=[N+](C3=CC=CC=C3N2)CC(=S)N

Isomeric SMILES

C1CCC(CC1)CCC2=[N+](C3=CC=CC=C3N2)CC(=S)N

InChI

InChI=1S/C17H23N3S/c18-16(21)12-20-15-9-5-4-8-14(15)19-17(20)11-10-13-6-2-1-3-7-13/h4-5,8-9,13H,1-3,6-7,10-12H2,(H2,18,21)/p+1