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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]ethanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]acetamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-[(2-chlorophenyl)methyl]acetamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2-chlorophenyl)methyl]acetamide Traditional Name: N-(2-chlorobenzyl)-2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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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)NCC5=CC=CC=C5Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4N=C3SCC(=O)NCC5=CC=CC=C5Cl

InChI

InChI=1S/C25H20ClN3O4S/c26-19-7-3-1-5-17(19)12-27-23(30)14-34-25-28-20-8-4-2-6-18(20)24(31)29(25)13-16-9-10-21-22(11-16)33-15-32-21/h1-11H,12-15H2,(H,27,30)