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

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylamino)-oxomethyl]phenyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-2-(methylthio)nicotinamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O4S/c1-29-21-15(6-4-10-22-21)20(26)24-16-7-3-2-5-14(16)19(25)23-13-8-9-17-18(11-13)28-12-27-17/h2-11H,12H2,1H3,(H,23,25)(H,24,26)