N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(C)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C25H31N3O4S/c1-16(2)12-13-28-24(30)19-8-6-7-9-21(19)27-25(28)33-15-23(29)26-17(3)20-14-18(31-4)10-11-22(20)32-5/h6-11,14,16-17H,12-13,15H2,1-5H3,(H,26,29)