2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methoxyphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-chloro-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one Formula: C23H24ClN3O3S MolecularWeight: 457.97296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C23H24ClN3O3S/c1-30-20-9-5-4-8-19(20)27-22(29)17-11-10-16(24)14-18(17)25-23(27)31-15-21(28)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3