4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(2-furylmethyl)benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(2-furanylmethyl)benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(furan-2-ylmethyl)benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(2-furfuryl)benzamide Formula: C21H16BrN3O3S MolecularWeight: 470.33904

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C21H16BrN3O3S/c22-15-7-8-18-17(10-15)20(27)25(21(29)24-18)12-13-3-5-14(6-4-13)19(26)23-11-16-2-1-9-28-16/h1-10H,11-12H2,(H,23,26)(H,24,29)