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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(2-methoxyphenyl)quinazolin-4-one Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C23H25N3O3S/c1-29-20-13-7-6-12-19(20)26-22(28)17-10-4-5-11-18(17)24-23(26)30-16-21(27)25-14-8-2-3-9-15-25/h4-7,10-13H,2-3,8-9,14-16H2,1H3