2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(2,6-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(2,6-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(2,6-dimethylphenyl)quinazolin-4-one Formula: C24H27N3O2S MolecularWeight: 421.55508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2S/c1-17-10-9-11-18(2)22(17)27-23(29)19-12-5-6-13-20(19)25-24(27)30-16-21(28)26-14-7-3-4-8-15-26/h5-6,9-13H,3-4,7-8,14-16H2,1-2H3