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

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-homoveratryl-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H24BrN3O4S MolecularWeight: 554.45546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C26H24BrN3O4S/c1-33-22-9-6-16(13-23(22)34-2)10-11-28-24(31)18-7-8-20-21(14-18)29-26(35)30(25(20)32)15-17-4-3-5-19(27)12-17/h3-9,12-14H,10-11,15H2,1-2H3,(H,28,31)(H,29,35)