6-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 6-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide Openeye Name: 6-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-pyridine-3-carboxamide CAS Name: 6-[[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thio]-5-cyano-2-methyl-N-phenyl-3-pyridinecarboxamide IUPAC Name: 6-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide Traditional Name: 5-cyano-6-[[(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl]thio]-2-methyl-N-phenyl-nicotinamide Formula: C25H22N4O4S MolecularWeight: 474.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C#N)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C(=N1)S[C@@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)C#N)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O4S/c1-15-20(24(31)29-19-6-4-3-5-7-19)11-18(12-26)25(28-15)34-16(2)23(30)27-13-17-8-9-21-22(10-17)33-14-32-21/h3-11,16H,13-14H2,1-2H3,(H,27,30)(H,29,31)/t16-/m0/s1