N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-(4-phenylphthalazin-1-yl)sulfanyl-acetamide CAS Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[(4-phenyl-1-phthalazinyl)thio]acetamide IUPAC Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-(4-phenylphthalazin-1-yl)sulfanylacetamide Traditional Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]-2-[(4-phenylphthalazin-1-yl)thio]acetamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(C)[C@@H](C1=CC2=C(C=C1)OCCO2)NC(=O)CSC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O3S/c1-18(2)26(20-12-13-23-24(16-20)34-15-14-33-23)29-25(32)17-35-28-22-11-7-6-10-21(22)27(30-31-28)19-8-4-3-5-9-19/h3-13,16,18,26H,14-15,17H2,1-2H3,(H,29,32)/t26-/m0/s1