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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(phenylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(phenylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(2-benzylquinazolin-4-yl)sulfanylacetamide Traditional Name: 2-[(2-benzylquinazolin-4-yl)thio]-N-piperonyl-acetamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=NC(=NC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c29-24(26-14-18-10-11-21-22(12-18)31-16-30-21)15-32-25-19-8-4-5-9-20(19)27-23(28-25)13-17-6-2-1-3-7-17/h1-12H,13-16H2,(H,26,29)