2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: 2-[7-chloro-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)propanamide CAS Name: 2-[[7-chloro-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: 2-[[7-chloro-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(p-tolyl)propionamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)O

InChI

InChI=1S/C21H22ClN3O3S/c1-12-4-7-16(8-5-12)23-19(27)14(3)29-21-24-18-10-15(22)6-9-17(18)20(28)25(21)11-13(2)26/h4-10,13-14,26H,11H2,1-3H3,(H,23,27)