methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)N(C)C

InChI

InChI=1S/C19H21N3O5S2/c1-10-14(18(24)25-4)16(29-15(10)17(23)22(2)3)21-19(28)20-8-11-5-6-12-13(7-11)27-9-26-12/h5-7H,8-9H2,1-4H3,(H2,20,21,28)