N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-methyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-methyl-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methylpyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-methyl-N-piperonyl-nicotinamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N(C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N(C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4S/c1-13-17(14(2)28-23-13)11-29-20-16(5-4-8-22-20)21(25)24(3)10-15-6-7-18-19(9-15)27-12-26-18/h4-9H,10-12H2,1-3H3