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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-p-phenetyl-quinazolin-4-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O3S/c1-2-30-19-13-11-18(12-14-19)27-23(29)20-9-5-6-10-21(20)25-24(27)31-17-22(28)26-15-7-3-4-8-16-26/h5-6,9-14H,2-4,7-8,15-17H2,1H3