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

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(piperonylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O4S2/c1-3-27-22(26)20-19(16-7-5-4-6-8-16)14(2)31-21(20)25-23(30)24-12-15-9-10-17-18(11-15)29-13-28-17/h4-11H,3,12-13H2,1-2H3,(H2,24,25,30)