2-[2-(4-butylcyclohexyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide

Systemtic Name: 2-[2-(4-butylcyclohexyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide Openeye Name: 2-[2-(4-butylcyclohexyl)-3H-benzimidazol-1-ium-1-yl]thioacetamide CAS Name: 2-[2-(4-butylcyclohexyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide IUPAC Name: 2-[2-(4-butylcyclohexyl)-3H-benzimidazol-1-ium-1-yl]ethanethioamide Traditional Name: 2-[2-(4-butylcyclohexyl)-3H-benzimidazol-1-ium-1-yl]thioacetamide Formula: C19H28N3S+ MolecularWeight: 330.51072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=[N+](C3=CC=CC=C3N2)CC(=S)N

Isomeric SMILES

CCCCC1CCC(CC1)C2=[N+](C3=CC=CC=C3N2)CC(=S)N

InChI

InChI=1S/C19H27N3S/c1-2-3-6-14-9-11-15(12-10-14)19-21-16-7-4-5-8-17(16)22(19)13-18(20)23/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3,(H2,20,23)/p+1