N-(4-acetamidophenyl)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[6-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamidophenyl)-2-(6-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-acetamidophenyl)-2-[[6-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[6-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetamidophenyl)-2-[(6-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H23ClN4O3S/c1-13(2)11-27-21(30)18-10-15(23)4-9-19(18)26-22(27)31-12-20(29)25-17-7-5-16(6-8-17)24-14(3)28/h4-10,13H,11-12H2,1-3H3,(H,24,28)(H,25,29)