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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

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