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

Systemtic Name: 3-[(3-bromophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-4-oxo-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-4-keto-2-thioxo-N-(3,4,5-trimethoxyphenyl)-1H-quinazoline-7-carboxamide Formula: C25H22BrN3O5S MolecularWeight: 556.42828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C25H22BrN3O5S/c1-32-20-11-17(12-21(33-2)22(20)34-3)27-23(30)15-7-8-18-19(10-15)28-25(35)29(24(18)31)13-14-5-4-6-16(26)9-14/h4-12H,13H2,1-3H3,(H,27,30)(H,28,35)