8-ethyl-6-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile

Systemtic Name: 8-ethyl-6-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile Openeye Name: 8-ethyl-6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile CAS Name: 8-ethyl-6-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile IUPAC Name: 8-ethyl-6-[4-(4-methoxybenzoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile Traditional Name: 8-ethyl-3,3-dimethyl-6-(4-p-anisoylpiperazino)-1,4-dihydrothiopyrano[3,4-c]pyridine-5-carbonitrile Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2CSC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)C#N)(C)C

Isomeric SMILES

CCC1=C2CSC(CC2=C(C(=N1)N3CCN(CC3)C(=O)C4=CC=C(C=C4)OC)C#N)(C)C

InChI

InChI=1S/C25H30N4O2S/c1-5-22-21-16-32-25(2,3)14-19(21)20(15-26)23(27-22)28-10-12-29(13-11-28)24(30)17-6-8-18(31-4)9-7-17/h6-9H,5,10-14,16H2,1-4H3