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

Systemtic Name: N-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazin-1-yl]carbothioylbenzamide Openeye Name: N-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide CAS Name: N-[[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: N-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide Traditional Name: N-[4-(5-cyano-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)piperazine-1-carbothioyl]benzamide Formula: C25H29N5O2S MolecularWeight: 463.59506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4)C#N)(C)C

Isomeric SMILES

CCC1=C2COC(CC2=C(C(=N1)N3CCN(CC3)C(=S)NC(=O)C4=CC=CC=C4)C#N)(C)C

InChI

InChI=1S/C25H29N5O2S/c1-4-21-20-16-32-25(2,3)14-18(20)19(15-26)22(27-21)29-10-12-30(13-11-29)24(33)28-23(31)17-8-6-5-7-9-17/h5-9H,4,10-14,16H2,1-3H3,(H,28,31,33)