7-(azepan-1-ylcarbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(azepan-1-ylcarbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(azepane-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[1-azepanyl(oxo)methyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(azepane-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(azepane-1-carbonyl)-3-o-anisyl-2-thioxo-1H-quinazolin-4-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCCC4)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCCC4)NC2=S

InChI

InChI=1S/C23H25N3O3S/c1-29-20-9-5-4-8-17(20)15-26-22(28)18-11-10-16(14-19(18)24-23(26)30)21(27)25-12-6-2-3-7-13-25/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,30)