N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-ethyl-2-[(4-phenylphthalazin-1-yl)thio]-N-piperonyl-acetamide Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C26H23N3O3S/c1-2-29(15-18-12-13-22-23(14-18)32-17-31-22)24(30)16-33-26-21-11-7-6-10-20(21)25(27-28-26)19-8-4-3-5-9-19/h3-14H,2,15-17H2,1H3