5-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide

Systemtic Name: 5-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide Openeye Name: 5-(3,3-dimethylbutanoylamino)-N-thiazol-2-yl-2,3-dihydro-1,4-benzodioxine-8-carboxamide CAS Name: 5-[(3,3-dimethyl-1-oxobutyl)amino]-N-(2-thiazolyl)-2,3-dihydro-1,4-benzodioxin-8-carboxamide IUPAC Name: 5-(3,3-dimethylbutanoylamino)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-8-carboxamide Traditional Name: 5-(3,3-dimethylbutanoylamino)-N-thiazol-2-yl-2,3-dihydro-1,4-benzodioxin-8-carboxamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C2C(=C(C=C1)C(=O)NC3=NC=CS3)OCCO2

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C2C(=C(C=C1)C(=O)NC3=NC=CS3)OCCO2

InChI

InChI=1S/C18H21N3O4S/c1-18(2,3)10-13(22)20-12-5-4-11(14-15(12)25-8-7-24-14)16(23)21-17-19-6-9-26-17/h4-6,9H,7-8,10H2,1-3H3,(H,20,22)(H,19,21,23)