3-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3-veratryl-quinazolin-4-one Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC4CCCCNC4=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC4CCCCNC4=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-29-18-11-10-15(13-19(18)30-2)14-26-22(28)16-7-3-4-8-17(16)25-23(26)31-20-9-5-6-12-24-21(20)27/h3-4,7-8,10-11,13,20H,5-6,9,12,14H2,1-2H3,(H,24,27)