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

Systemtic Name: 2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-propanamide Openeye Name: 2-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-propanamide CAS Name: 2-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-methylpropanamide IUPAC Name: 2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylpropanamide Traditional Name: 2-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-methyl-propionamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC

InChI

InChI=1S/C20H20ClN3O3S/c1-11-9-16(17(27-4)10-14(11)21)24-19(26)13-7-5-6-8-15(13)23-20(24)28-12(2)18(25)22-3/h5-10,12H,1-4H3,(H,22,25)