2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-cyano-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-cyano-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-cyano-6-(phenylmethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)acetamide Formula: C24H21N4OS3+ MolecularWeight: 477.64474

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4S3)C#N)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=C1C(=C(S2)NC(=O)CSC3=NC4=CC=CC=C4S3)C#N)CC5=CC=CC=C5

InChI

InChI=1S/C24H20N4OS3/c25-12-18-17-10-11-28(13-16-6-2-1-3-7-16)14-21(17)31-23(18)27-22(29)15-30-24-26-19-8-4-5-9-20(19)32-24/h1-9H,10-11,13-15H2,(H,27,29)/p+1