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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-chlorophenyl)ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-chlorophenyl)acetamide Traditional Name: N-(2-chlorophenyl)-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C24H18ClN3O4S MolecularWeight: 479.93542

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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)NC5=CC=CC=C5Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=CC=C5Cl

InChI

InChI=1S/C24H18ClN3O4S/c25-17-6-2-4-8-19(17)26-22(29)13-33-24-27-18-7-3-1-5-16(18)23(30)28(24)12-15-9-10-20-21(11-15)32-14-31-20/h1-11H,12-14H2,(H,26,29)