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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC3=C(C=C2)OCO3)C(=O)OC)C

InChI

InChI=1S/C21H25N3O5S2/c1-5-24(6-2)19(25)17-12(3)16(20(26)27-4)18(31-17)23-21(30)22-10-13-7-8-14-15(9-13)29-11-28-14/h7-9H,5-6,10-11H2,1-4H3,(H2,22,23,30)