4-(3-cyano-7,7-dimethyl-4-propan-2-yl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-cyano-7,7-dimethyl-4-propan-2-yl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(3-cyano-4-isopropyl-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(3-cyano-7,7-dimethyl-4-propan-2-yl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-cyano-7,7-dimethyl-4-propan-2-yl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(3-cyano-4-isopropyl-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridin-2-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C25H31N5OS MolecularWeight: 449.61154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC2=C1COC(C2)(C)C)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC2=C1COC(C2)(C)C)N3CCN(CC3)C(=S)NC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H31N5OS/c1-17(2)22-19(15-26)23(28-21-14-25(3,4)31-16-20(21)22)29-10-12-30(13-11-29)24(32)27-18-8-6-5-7-9-18/h5-9,17H,10-14,16H2,1-4H3,(H,27,32)