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

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-benzyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-benzylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]thiocarbamoylamino]-5-benzyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O6S2 MolecularWeight: 527.6125

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C(C)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)C(C)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H25N3O6S2/c1-3-31-24(30)19-13-18(11-16-7-5-4-6-8-16)36-23(19)26-25(35)28-27-22(29)15(2)34-17-9-10-20-21(12-17)33-14-32-20/h4-10,12-13,15H,3,11,14H2,1-2H3,(H,27,29)(H2,26,28,35)