4-[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-[5-cyano-8-(2-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-[5-cyano-8-(2-furanyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-[5-cyano-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-[5-cyano-8-(2-furyl)-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl]-N-phenyl-piperazine-1-carbothioamide Formula: C26H28N5OS2+ MolecularWeight: 490.66342

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CO3)N4CCN(CC4)C(=S)NC5=CC=CC=C5)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)C3=CC=CO3)N4CCN(CC4)C(=S)NC5=CC=CC=C5)C#N)C

InChI

InChI=1S/C26H27N5OS2/c1-26(2)15-19-20(16-27)24(29-23(21(19)17-34-26)22-9-6-14-32-22)30-10-12-31(13-11-30)25(33)28-18-7-4-3-5-8-18/h3-9,14H,10-13,15,17H2,1-2H3,(H,28,33)/p+1