methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(piperonyloylamino)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O5S2/c1-25-18(24)15-11-4-2-3-5-14(11)29-17(15)20-19(28)22-21-16(23)10-6-7-12-13(8-10)27-9-26-12/h6-8H,2-5,9H2,1H3,(H,21,23)(H2,20,22,28)