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

Systemtic Name: 4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide Openeye Name: 4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide CAS Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide IUPAC Name: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

Isomeric SMILES

COCCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S

InChI

InChI=1S/C20H20BrN3O3S/c1-27-10-2-9-22-18(25)14-5-3-13(4-6-14)12-24-19(26)16-11-15(21)7-8-17(16)23-20(24)28/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)(H,23,28)