3-(2-methylpropyl)-4-oxidanylidene-N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(2-methylpropyl)-4-oxidanylidene-N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-isobutyl-4-oxo-N-[[1-(1-piperidyl)cyclohexyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-methylpropyl)-4-oxo-N-[[1-(1-piperidinyl)cyclohexyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(2-methylpropyl)-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-isobutyl-4-keto-N-[(1-piperidinocyclohexyl)methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCCCC4)NC1=S

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3(CCCCC3)N4CCCCC4)NC1=S

InChI

InChI=1S/C25H36N4O2S/c1-18(2)16-29-23(31)20-10-9-19(15-21(20)27-24(29)32)22(30)26-17-25(11-5-3-6-12-25)28-13-7-4-8-14-28/h9-10,15,18H,3-8,11-14,16-17H2,1-2H3,(H,26,30)(H,27,32)