N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromanyl-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromo-4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(6-bromo-4-keto-2-thioxo-1H-quinazolin-3-yl)-N-piperonyl-hexanamide Formula: C22H22BrN3O4S MolecularWeight: 504.39678

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S

InChI

InChI=1S/C22H22BrN3O4S/c23-15-6-7-17-16(11-15)21(28)26(22(31)25-17)9-3-1-2-4-20(27)24-12-14-5-8-18-19(10-14)30-13-29-18/h5-8,10-11H,1-4,9,12-13H2,(H,24,27)(H,25,31)