2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)propanamide Openeye Name: 2-(7-chloro-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2,4-dichlorophenyl)propanamide CAS Name: 2-[[7-chloro-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-N-(2,4-dichlorophenyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dichlorophenyl)propanamide Traditional Name: 2-[(7-chloro-3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(2,4-dichlorophenyl)propionamide Formula: C21H20Cl3N3O2S MolecularWeight: 484.8264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SC(C)C(=O)NC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl3N3O2S/c1-11(2)10-27-20(29)15-6-4-14(23)9-18(15)26-21(27)30-12(3)19(28)25-17-7-5-13(22)8-16(17)24/h4-9,11-12H,10H2,1-3H3,(H,25,28)