N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N,3-dimethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-N,3-dimethyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-N,3-dimethyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N,3-dimethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-N,3-dimethyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-4-keto-N,3-dimethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC)NC1=S

InChI

InChI=1S/C19H18BrN3O3S/c1-22(10-12-8-13(20)5-7-16(12)26-3)17(24)11-4-6-14-15(9-11)21-19(27)23(2)18(14)25/h4-9H,10H2,1-3H3,(H,21,27)