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

Systemtic Name: 2-azanyl-6-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-6-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-6-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]thio]-5-cyano-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-6-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-6-[[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl]thio]-5-cyano-N-phenyl-nicotinamide Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C24H21N5O4S/c1-14(15-7-8-19-20(10-15)33-13-32-19)27-21(30)12-34-24-16(11-25)9-18(22(26)29-24)23(31)28-17-5-3-2-4-6-17/h2-10,14H,12-13H2,1H3,(H2,26,29)(H,27,30)(H,28,31)