ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H23N3O6S2 MolecularWeight: 513.58592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H23N3O6S2/c1-2-30-23(29)18-12-17(10-15-6-4-3-5-7-15)35-22(18)25-24(34)27-26-21(28)13-31-16-8-9-19-20(11-16)33-14-32-19/h3-9,11-12H,2,10,13-14H2,1H3,(H,26,28)(H2,25,27,34)