N-(2-methylquinolin-4-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide

Systemtic Name: N-(2-methylquinolin-4-yl)-4-oxidanylidene-1H-quinazoline-2-carbothioamide Openeye Name: N-(2-methyl-4-quinolyl)-4-oxo-1H-quinazoline-2-carbothioamide CAS Name: N-(2-methyl-4-quinolinyl)-4-oxo-1H-quinazoline-2-carbothioamide IUPAC Name: N-(2-methylquinolin-4-yl)-4-oxo-1H-quinazoline-2-carbothioamide Traditional Name: 4-keto-N-(2-methyl-4-quinolyl)-1H-quinazoline-2-carbothioamide Formula: C19H14N4OS MolecularWeight: 346.40566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=S)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C19H14N4OS/c1-11-10-16(12-6-2-4-8-14(12)20-11)22-19(25)17-21-15-9-5-3-7-13(15)18(24)23-17/h2-10H,1H3,(H,20,22,25)(H,21,23,24)