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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4)OC

InChI

InChI=1S/C24H27N3O4S/c1-30-20-12-11-17(15-21(20)31-2)27-23(29)18-9-5-6-10-19(18)25-24(27)32-16-22(28)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3