2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: 2-[[2-keto-2-(piperonylamino)ethyl]thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C(C)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O5S/c1-10-5-15(20-25-10)19-17(22)11(2)26-8-16(21)18-7-12-3-4-13-14(6-12)24-9-23-13/h3-6,11H,7-9H2,1-2H3,(H,18,21)(H,19,20,22)