2-azanyl-6-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-6-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-6-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-6-[[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]-5-cyano-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-6-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-6-[[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]-5-cyano-N-phenyl-nicotinamide Formula: C23H19N5O4S MolecularWeight: 461.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)SC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H19N5O4S/c1-13(21(29)27-16-7-8-18-19(10-16)32-12-31-18)33-23-14(11-24)9-17(20(25)28-23)22(30)26-15-5-3-2-4-6-15/h2-10,13H,12H2,1H3,(H2,25,28)(H,26,30)(H,27,29)/t13-/m1/s1