3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(2-oxocyclohexyl)sulfanyl-quinazolin-4-one CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2-oxocyclohexyl)thio]-4-quinazolinone IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[(2-ketocyclohexyl)thio]quinazolin-4-one Formula: C22H21ClN2O3S MolecularWeight: 428.93174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

InChI

InChI=1S/C22H21ClN2O3S/c1-13-11-17(19(28-2)12-15(13)23)25-21(27)14-7-3-4-8-16(14)24-22(25)29-20-10-6-5-9-18(20)26/h3-4,7-8,11-12,20H,5-6,9-10H2,1-2H3