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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-(1,3-benzodioxole-5-carbonylcarbamothioylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(piperonyloylthiocarbamoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O5S2/c1-24-16(23)10-2-4-11-14(7-10)28-18(19-11)21-17(27)20-15(22)9-3-5-12-13(6-9)26-8-25-12/h2-7H,8H2,1H3,(H2,19,20,21,22,27)