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

Systemtic Name: 3-[(4-methoxyphenyl)methyl]-2-(2-oxidanylideneazepan-3-yl)sulfanyl-quinazolin-4-one Openeye Name: 3-[(4-methoxyphenyl)methyl]-2-(2-oxoazepan-3-yl)sulfanyl-quinazolin-4-one CAS Name: 3-[(4-methoxyphenyl)methyl]-2-[(2-oxo-3-azepanyl)thio]-4-quinazolinone IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-(2-oxoazepan-3-yl)sulfanylquinazolin-4-one Traditional Name: 2-[(2-ketoazepan-3-yl)thio]-3-p-anisyl-quinazolin-4-one Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-28-16-11-9-15(10-12-16)14-25-21(27)17-6-2-3-7-18(17)24-22(25)29-19-8-4-5-13-23-20(19)26/h2-3,6-7,9-12,19H,4-5,8,13-14H2,1H3,(H,23,26)