methyl 6-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(piperonyloylamino)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H14ClN3O5S2 MolecularWeight: 463.91456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C19H14ClN3O5S2/c1-26-18(25)16-15(20)11-4-3-10(7-14(11)30-16)21-19(29)23-22-17(24)9-2-5-12-13(6-9)28-8-27-12/h2-7H,8H2,1H3,(H,22,24)(H2,21,23,29)