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

Systemtic Name: 4-(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(8-butyl-5-cyano-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C26H34N5OS+ MolecularWeight: 464.64606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CCCCC1=C2COC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N)(C)C

InChI

InChI=1S/C26H33N5OS/c1-4-5-11-23-22-18-32-26(2,3)16-20(22)21(17-27)24(29-23)30-12-14-31(15-13-30)25(33)28-19-9-7-6-8-10-19/h6-10H,4-5,11-16,18H2,1-3H3,(H,28,33)/p+1