N-[(3-cyano-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide

Systemtic Name: N-[(3-cyano-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Openeye Name: N-[(3-cyano-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide CAS Name: N-[[(3-cyano-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(3-cyano-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)carbamothioyl]benzamide Traditional Name: N-[(3-cyano-6-phenethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-6-ium-2-yl)thiocarbamoyl]benzamide Formula: C24H23N4OS2+ MolecularWeight: 447.59562

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C#N)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC2=C1C(=C(S2)NC(=S)NC(=O)C3=CC=CC=C3)C#N)CCC4=CC=CC=C4

InChI

InChI=1S/C24H22N4OS2/c25-15-20-19-12-14-28(13-11-17-7-3-1-4-8-17)16-21(19)31-23(20)27-24(30)26-22(29)18-9-5-2-6-10-18/h1-10H,11-14,16H2,(H2,26,27,29,30)/p+1