N-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-yl]carbothioylbenzamide

Systemtic Name: N-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-yl]carbothioylbenzamide Openeye Name: N-[4-(5-cyano-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-(5-cyano-3,3-dimethyl-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-(5-cyano-8-isopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2S/c1-17(2)22-21-16-33-26(3,4)14-19(21)20(15-27)23(28-22)30-10-12-31(13-11-30)25(34)29-24(32)18-8-6-5-7-9-18/h5-9,17H,10-14,16H2,1-4H3,(H,29,32,34)