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

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-4-keto-N-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H20BrN3O3S/c1-31-21-8-3-2-6-17(21)13-26-22(29)16-9-10-19-20(12-16)27-24(32)28(23(19)30)14-15-5-4-7-18(25)11-15/h2-12H,13-14H2,1H3,(H,26,29)(H,27,32)