methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(piperonyloylamino)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N3O5S2/c1-24-17(23)14-10-3-2-4-13(10)28-16(14)19-18(27)21-20-15(22)9-5-6-11-12(7-9)26-8-25-11/h5-7H,2-4,8H2,1H3,(H,20,22)(H2,19,21,27)