N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-isopentyl-N-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-(3-methylbutyl)-N-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(3-methylbutyl)-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-isoamyl-N-[2-keto-2-[(4-methylthiazol-2-yl)amino]ethyl]-piperonylamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CSC(=N1)NC(=O)CN(CCC(C)C)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H23N3O4S/c1-12(2)6-7-22(9-17(23)21-19-20-13(3)10-27-19)18(24)14-4-5-15-16(8-14)26-11-25-15/h4-5,8,10,12H,6-7,9,11H2,1-3H3,(H,20,21,23)