N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)OCC

InChI

InChI=1S/C26H33N3O4S/c1-5-32-22-12-11-19(15-23(22)33-6-2)13-14-27-24(30)17-34-26-28-21-10-8-7-9-20(21)25(31)29(26)16-18(3)4/h7-12,15,18H,5-6,13-14,16-17H2,1-4H3,(H,27,30)