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

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]thiocarbamoylamino]-5-phenyl-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)C2=CC=CC=C2)NC(=S)NNC(=O)C(C)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)C(C)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H23N3O6S2/c1-3-30-23(29)17-12-20(15-7-5-4-6-8-15)35-22(17)25-24(34)27-26-21(28)14(2)33-16-9-10-18-19(11-16)32-13-31-18/h4-12,14H,3,13H2,1-2H3,(H,26,28)(H2,25,27,34)