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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

Isomeric SMILES

CCCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

InChI

InChI=1S/C21H22ClN3O3S/c1-4-11-23-19(26)13(2)29-21-24-16-12-14(22)9-10-15(16)20(27)25(21)17-7-5-6-8-18(17)28-3/h5-10,12-13H,4,11H2,1-3H3,(H,23,26)