N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3Br)OCCO4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3Br)OCCO4)NC1=S

InChI

InChI=1S/C18H14BrN3O4S/c1-22-17(24)10-3-2-9(6-12(10)21-18(22)27)16(23)20-13-8-15-14(7-11(13)19)25-4-5-26-15/h2-3,6-8H,4-5H2,1H3,(H,20,23)(H,21,27)