3-(2,4-dimethylphenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2,4-dimethylphenyl)-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-(2,4-dimethylphenyl)-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-(2,4-dimethylphenyl)-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-(2,4-dimethylphenyl)-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 3-(2,4-dimethylphenyl)-2-[(2-ketoazepan-3-yl)thio]quinazolin-4-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCNC4=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCNC4=O)C

InChI

InChI=1S/C22H23N3O2S/c1-14-10-11-18(15(2)13-14)25-21(27)16-7-3-4-8-17(16)24-22(25)28-19-9-5-6-12-23-20(19)26/h3-4,7-8,10-11,13,19H,5-6,9,12H2,1-2H3,(H,23,26)