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

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20BrN3O4S MolecularWeight: 478.3595

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC(=C(C=C3Br)OC)OC)NC1=S

InChI

InChI=1S/C20H20BrN3O4S/c1-24-19(26)13-5-4-12(8-15(13)23-20(24)29)18(25)22-7-6-11-9-16(27-2)17(28-3)10-14(11)21/h4-5,8-10H,6-7H2,1-3H3,(H,22,25)(H,23,29)