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

Systemtic Name: 2-[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one CAS Name: 2-[[1-(1-azepanyl)-1-oxopropan-2-yl]thio]-3-(4-ethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(4-ethoxyphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]thio]-3-p-phenetyl-quinazolin-4-one Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O3S/c1-3-31-20-14-12-19(13-15-20)28-24(30)21-10-6-7-11-22(21)26-25(28)32-18(2)23(29)27-16-8-4-5-9-17-27/h6-7,10-15,18H,3-5,8-9,16-17H2,1-2H3