2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-chloro-3-(2-methoxy-5-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C24H26ClN3O3S MolecularWeight: 471.99954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C24H26ClN3O3S/c1-16-7-10-21(31-2)20(13-16)28-23(30)18-9-8-17(25)14-19(18)26-24(28)32-15-22(29)27-11-5-3-4-6-12-27/h7-10,13-14H,3-6,11-12,15H2,1-2H3