N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutanoylamino)thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methyl-1-oxobutyl)amino]-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methylbutanoylamino)-1,3-thiazole-4-carboxamide Traditional Name: 2-(isovalerylamino)-N-piperonyl-thiazole-4-carboxamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CC(=O)NC1=NC(=CS1)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H19N3O4S/c1-10(2)5-15(21)20-17-19-12(8-25-17)16(22)18-7-11-3-4-13-14(6-11)24-9-23-13/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,18,22)(H,19,20,21)