N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: 2-(methylthio)-N-[2-(piperonylcarbamoyl)phenyl]nicotinamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H19N3O4S/c1-30-22-16(6-4-10-23-22)21(27)25-17-7-3-2-5-15(17)20(26)24-12-14-8-9-18-19(11-14)29-13-28-18/h2-11H,12-13H2,1H3,(H,24,26)(H,25,27)