ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-5-benzylthiophene-3-carboxylate Traditional Name: 5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O4S2/c1-2-27-22(26)18-12-17(10-15-6-4-3-5-7-15)31-21(18)25-23(30)24-13-16-8-9-19-20(11-16)29-14-28-19/h3-9,11-12H,2,10,13-14H2,1H3,(H2,24,25,30)