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

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)benzyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H23N3O2S/c26-20(24-13-5-1-2-6-14-24)17-11-9-16(10-12-17)15-25-21(27)18-7-3-4-8-19(18)23-22(25)28/h3-4,7-12H,1-2,5-6,13-15H2,(H,23,28)