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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-7-chloranyl-3-(2-methoxyethyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-7-chloro-3-(2-methoxyethyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-7-chloro-3-(2-methoxyethyl)quinazolin-4-one Formula: C19H24ClN3O3S MolecularWeight: 409.93016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCCCC3

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24ClN3O3S/c1-26-11-10-23-18(25)15-7-6-14(20)12-16(15)21-19(23)27-13-17(24)22-8-4-2-3-5-9-22/h6-7,12H,2-5,8-11,13H2,1H3