N-(5-tert-butyl-2-methoxy-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)C(C)(C)C)OC

InChI

InChI=1S/C25H31N3O3S/c1-16(2)14-28-23(30)18-9-7-8-10-19(18)27-24(28)32-15-22(29)26-20-13-17(25(3,4)5)11-12-21(20)31-6/h7-13,16H,14-15H2,1-6H3,(H,26,29)