N-(4,5-dimethoxy-2-methyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-allyl-N-(4,5-dimethoxy-2-methyl-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-allyl-N-(4,5-dimethoxy-2-methyl-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC=C)OC)OC

InChI

InChI=1S/C21H21N3O4S/c1-5-8-24-20(26)14-7-6-13(10-16(14)23-21(24)29)19(25)22-15-11-18(28-4)17(27-3)9-12(15)2/h5-7,9-11H,1,8H2,2-4H3,(H,22,25)(H,23,29)