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

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-(furan-2-ylmethyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-(2-furylmethyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-(2-furanylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-(2-furfuryl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H16BrN3O3S MolecularWeight: 470.33904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S

Isomeric SMILES

C1=CC(=CC(=C1)Br)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CO4)NC2=S

InChI

InChI=1S/C21H16BrN3O3S/c22-15-4-1-3-13(9-15)12-25-20(27)17-7-6-14(10-18(17)24-21(25)29)19(26)23-11-16-5-2-8-28-16/h1-10H,11-12H2,(H,23,26)(H,24,29)