3-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-6-bromanyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]methyl]-6-bromanyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-6-bromo-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]phenyl]methyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-6-bromo-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-(azepane-1-carbonyl)benzyl]-6-bromo-2-thioxo-1H-quinazolin-4-one Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H22BrN3O2S/c23-17-9-10-19-18(13-17)21(28)26(22(29)24-19)14-15-5-7-16(8-6-15)20(27)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12,14H2,(H,24,29)