N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]benzamide Traditional Name: 4-[(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]-N-piperonyl-benzamide Formula: C24H18BrN3O4S MolecularWeight: 524.38642

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S

InChI

InChI=1S/C24H18BrN3O4S/c25-17-6-7-19-18(10-17)23(30)28(24(33)27-19)12-14-1-4-16(5-2-14)22(29)26-11-15-3-8-20-21(9-15)32-13-31-20/h1-10H,11-13H2,(H,26,29)(H,27,33)