methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(piperonyloylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C17H17N3O5S2/c1-3-10-7-11(16(22)23-2)15(27-10)18-17(26)20-19-14(21)9-4-5-12-13(6-9)25-8-24-12/h4-7H,3,8H2,1-2H3,(H,19,21)(H2,18,20,26)