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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-(2-isopropylphenyl)quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-(2-propan-2-ylphenyl)-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-o-cumenyl-quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O2S/c1-18(2)19-11-6-8-14-22(19)28-24(30)20-12-5-7-13-21(20)26-25(28)31-17-23(29)27-15-9-3-4-10-16-27/h5-8,11-14,18H,3-4,9-10,15-17H2,1-2H3