N-(3-methylbutyl)-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(3-methylbutyl)-N-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-isopentyl-N-[2-oxo-2-(thiazol-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-methylbutyl)-N-[2-oxo-2-(2-thiazolylamino)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-methylbutyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-isoamyl-N-[2-keto-2-(thiazol-2-ylamino)ethyl]-piperonylamide Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O4S/c1-12(2)5-7-21(10-16(22)20-18-19-6-8-26-18)17(23)13-3-4-14-15(9-13)25-11-24-14/h3-4,6,8-9,12H,5,7,10-11H2,1-2H3,(H,19,20,22)