3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-indan-5-yl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-indan-5-yl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H20BrN3O2S MolecularWeight: 506.4142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C25H20BrN3O2S/c26-19-6-1-3-15(11-19)14-29-24(31)21-10-8-18(13-22(21)28-25(29)32)23(30)27-20-9-7-16-4-2-5-17(16)12-20/h1,3,6-13H,2,4-5,14H2,(H,27,30)(H,28,32)