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

Systemtic Name: 3-[(3-bromophenyl)methyl]-4-oxidanylidene-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-4-oxo-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-4-keto-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H20BrN3O3S MolecularWeight: 558.4457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC(=CC=C5)Br

InChI

InChI=1S/C28H20BrN3O3S/c29-20-6-4-5-18(15-20)17-32-27(34)24-14-9-19(16-25(24)31-28(32)36)26(33)30-21-10-12-23(13-11-21)35-22-7-2-1-3-8-22/h1-16H,17H2,(H,30,33)(H,31,36)