butyl 2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(piperonyloylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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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)OCO4

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19N3O5S2/c1-2-3-8-27-19(26)13-4-6-14-17(10-13)31-21(22-14)24-20(30)23-18(25)12-5-7-15-16(9-12)29-11-28-15/h4-7,9-10H,2-3,8,11H2,1H3,(H2,22,23,24,25,30)