butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H21N3O5S2/c1-2-3-8-30-20(27)14-4-6-15-18(12-14)32-22(23-15)25-21(31)24-19(26)13-5-7-16-17(11-13)29-10-9-28-16/h4-7,11-12H,2-3,8-10H2,1H3,(H2,23,24,25,26,31)