N-[1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: N-[1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: N-[1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: N-[1-(1,3-benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: N-[1-(1,3-benzothiazol-2-ylcarbamoyl)-2-methyl-propyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4S/c1-12(2)18(20(26)24-21-22-13-7-3-6-10-17(13)29-21)23-19(25)16-11-27-14-8-4-5-9-15(14)28-16/h3-10,12,16,18H,11H2,1-2H3,(H,23,25)(H,22,24,26)