methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC3=C(C=C2)OCO3)C(=O)OC)C

InChI

InChI=1S/C20H23N3O5S2/c1-5-23(6-2)18(24)16-11(3)15(19(25)26-4)17(30-16)22-20(29)21-12-7-8-13-14(9-12)28-10-27-13/h7-9H,5-6,10H2,1-4H3,(H2,21,22,29)