N-(cyanomethyl)-4-(3,3-dimethyl-5-phenyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide

Systemtic Name: N-(cyanomethyl)-4-(3,3-dimethyl-5-phenyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide Openeye Name: N-(cyanomethyl)-4-(8-isopropyl-3,3-dimethyl-5-phenyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide CAS Name: N-(cyanomethyl)-4-(3,3-dimethyl-5-phenyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-piperazinecarbothioamide IUPAC Name: N-(cyanomethyl)-4-(3,3-dimethyl-5-phenyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide Traditional Name: N-(cyanomethyl)-4-(8-isopropyl-3,3-dimethyl-5-phenyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioamide Formula: C26H33N5OS MolecularWeight: 463.63812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=S)NCC#N)C4=CC=CC=C4)(C)C

Isomeric SMILES

CC(C)C1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=S)NCC#N)C4=CC=CC=C4)(C)C

InChI

InChI=1S/C26H33N5OS/c1-18(2)23-21-17-32-26(3,4)16-20(21)22(19-8-6-5-7-9-19)24(29-23)30-12-14-31(15-13-30)25(33)28-11-10-27/h5-9,18H,11-17H2,1-4H3,(H,28,33)