methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(piperonyloylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

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