2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-propylacetamide IUPAC Name: 2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-propyl-acetamide Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C(=C3)C)Cl)OC

Isomeric SMILES

CCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C(=C3)C)Cl)OC

InChI

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