3-[(3-bromophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-(3,4-dimethylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-(3,4-dimethylphenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H20BrN3O2S MolecularWeight: 494.4035

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br)C

InChI

InChI=1S/C24H20BrN3O2S/c1-14-6-8-19(10-15(14)2)26-22(29)17-7-9-20-21(12-17)27-24(31)28(23(20)30)13-16-4-3-5-18(25)11-16/h3-12H,13H2,1-2H3,(H,26,29)(H,27,31)