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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-7-chloranyl-3-(2-methoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-7-chloro-3-(2-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-7-chloro-3-(2-methoxyphenyl)quinazolin-4-one Formula: C24H26ClN3O3S MolecularWeight: 471.99954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC=C4OC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C4=CC=CC=C4OC

InChI

InChI=1S/C24H26ClN3O3S/c1-16(22(29)27-13-7-3-4-8-14-27)32-24-26-19-15-17(25)11-12-18(19)23(30)28(24)20-9-5-6-10-21(20)31-2/h5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3