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

Systemtic Name: methyl 2-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[(piperonyloylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O6S2 MolecularWeight: 464.5153

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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(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O6S2/c1-9-13(18(26)27-4)16(31-14(9)17(25)23(2)3)20-19(30)22-21-15(24)10-5-6-11-12(7-10)29-8-28-11/h5-7H,8H2,1-4H3,(H,21,24)(H2,20,22,30)