2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(1H-benzimidazol-3-ium-2-ylthio)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C18H17N4OS2+ MolecularWeight: 369.48378

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=[NH+]C4=CC=CC=C4N3)C#N

InChI

InChI=1S/C18H16N4OS2/c19-9-12-11-5-1-4-8-15(11)25-17(12)22-16(23)10-24-18-20-13-6-2-3-7-14(13)21-18/h2-3,6-7H,1,4-5,8,10H2,(H,20,21)(H,22,23)/p+1