2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]-N-phenethyl-acetamide Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C26H23N3O4S/c30-24(27-13-12-18-6-2-1-3-7-18)16-34-26-28-21-9-5-4-8-20(21)25(31)29(26)15-19-10-11-22-23(14-19)33-17-32-22/h1-11,14H,12-13,15-17H2,(H,27,30)