4-(5-cyano-8-ethyl-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-ethyl-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-ethyl-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-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-6-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C24H30N5S2+ MolecularWeight: 452.6585

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=[NH+]1)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N)(C)C

InChI

InChI=1S/C24H29N5S2/c1-4-21-20-16-31-24(2,3)14-18(20)19(15-25)22(27-21)28-10-12-29(13-11-28)23(30)26-17-8-6-5-7-9-17/h5-9H,4,10-14,16H2,1-3H3,(H,26,30)/p+1