4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-[2-(1H-imidazol-5-yl)ethyl]benzamide Formula: C21H18BrN5O2S MolecularWeight: 484.36892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C(=O)NCCC4=CN=CN4

Isomeric SMILES

C1=CC(=CC=C1CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C(=O)NCCC4=CN=CN4

InChI

InChI=1S/C21H18BrN5O2S/c22-15-5-6-18-17(9-15)20(29)27(21(30)26-18)11-13-1-3-14(4-2-13)19(28)24-8-7-16-10-23-12-25-16/h1-6,9-10,12H,7-8,11H2,(H,23,25)(H,24,28)(H,26,30)