N-(3-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-methylphenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(m-tolyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-N-(m-tolyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H17N3O2S MolecularWeight: 351.42218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C

InChI

InChI=1S/C19H17N3O2S/c1-3-9-22-18(24)15-8-7-13(11-16(15)21-19(22)25)17(23)20-14-6-4-5-12(2)10-14/h3-8,10-11H,1,9H2,2H3,(H,20,23)(H,21,25)