2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-[3-(2-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[3-(2-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide CAS Name: 2-[[3-(2-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(1S,2R)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(4-keto-3-o-phenetyl-quinazolin-2-yl)thio]-N-[(1S,2R)-2-methylcyclohexyl]acetamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCC4C

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@H]4CCCC[C@H]4C

InChI

InChI=1S/C25H29N3O3S/c1-3-31-22-15-9-8-14-21(22)28-24(30)18-11-5-7-13-20(18)27-25(28)32-16-23(29)26-19-12-6-4-10-17(19)2/h5,7-9,11,13-15,17,19H,3-4,6,10,12,16H2,1-2H3,(H,26,29)/t17-,19+/m1/s1