(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphthalazin-1-yl)sulfanyl-propanamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenyl-1-phthalazinyl)thio]propanamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphthalazin-1-yl)sulfanylpropanamide Traditional Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-phenylphthalazin-1-yl)thio]propionamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN=C(C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C25H21N3O3S/c1-16(24(29)26-18-11-12-21-22(15-18)31-14-13-30-21)32-25-20-10-6-5-9-19(20)23(27-28-25)17-7-3-2-4-8-17/h2-12,15-16H,13-14H2,1H3,(H,26,29)/t16-/m0/s1