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

Systemtic Name: 3-[(3-bromophenyl)methyl]-N-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(3-bromophenyl)methyl]-N-(3-chloro-4-methoxy-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(3-bromophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(3-bromophenyl)methyl]-N-(3-chloro-4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-bromobenzyl)-N-(3-chloro-4-methoxy-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H17BrClN3O3S MolecularWeight: 530.82138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17BrClN3O3S/c1-31-20-8-6-16(11-18(20)25)26-21(29)14-5-7-17-19(10-14)27-23(32)28(22(17)30)12-13-3-2-4-15(24)9-13/h2-11H,12H2,1H3,(H,26,29)(H,27,32)