N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[7-chloranyl-4-oxidanylidene-3-(2-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: 2-[7-chloro-3-(2-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)propanamide CAS Name: 2-[[7-chloro-3-(2-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide Traditional Name: 2-[[7-chloro-3-(2-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)propionamide Formula: C22H23Cl2N3O4S MolecularWeight: 496.40672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC(C)O

InChI

InChI=1S/C22H23Cl2N3O4S/c1-11-7-18(19(31-4)9-16(11)24)25-20(29)13(3)32-22-26-17-8-14(23)5-6-15(17)21(30)27(22)10-12(2)28/h5-9,12-13,28H,10H2,1-4H3,(H,25,29)