2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide

Systemtic Name: 2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxo-ethyl]sulfanyl-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]thio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-2-oxoethyl]sulfanyl-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[[2-[ethyl(piperonyl)amino]-2-keto-ethyl]thio]-4,5,6-trimethyl-nicotinamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=C(C(=C3C(=O)N)C)C)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC(=C(C(=C3C(=O)N)C)C)C

InChI

InChI=1S/C21H25N3O4S/c1-5-24(9-15-6-7-16-17(8-15)28-11-27-16)18(25)10-29-21-19(20(22)26)13(3)12(2)14(4)23-21/h6-8H,5,9-11H2,1-4H3,(H2,22,26)