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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C20H20ClN3O3S/c1-12-10-16(17(27-3)11-14(12)21)22-18(25)8-9-28-20-23-15-7-5-4-6-13(15)19(26)24(20)2/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)