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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

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