4-bromanyl-N-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)carbamothioyl]benzamide Openeye Name: 4-bromo-N-[(2-methyl-4-oxo-quinazolin-3-yl)carbamothioyl]benzamide CAS Name: 4-bromo-N-[[(2-methyl-4-oxo-3-quinazolinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[(2-methyl-4-oxoquinazolin-3-yl)carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(4-keto-2-methyl-quinazolin-3-yl)thiocarbamoyl]benzamide Formula: C17H13BrN4O2S MolecularWeight: 417.27972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrN4O2S/c1-10-19-14-5-3-2-4-13(14)16(24)22(10)21-17(25)20-15(23)11-6-8-12(18)9-7-11/h2-9H,1H3,(H2,20,21,23,25)