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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-chloranyl-4-methyl-phenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(3-chloro-4-methyl-phenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(3-chloro-4-methylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-chloro-4-methylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(3-chloro-4-methyl-phenyl)quinazolin-4-one Formula: C23H24ClN3O2S MolecularWeight: 441.97356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C23H24ClN3O2S/c1-16-10-11-17(14-19(16)24)27-22(29)18-8-4-5-9-20(18)25-23(27)30-15-21(28)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3