ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H25N3O6S2 MolecularWeight: 527.6125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C(C)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)C(C)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H25N3O6S2/c1-4-31-24(30)21-20(16-8-6-5-7-9-16)15(3)36-23(21)26-25(35)28-27-22(29)14(2)34-17-10-11-18-19(12-17)33-13-32-18/h5-12,14H,4,13H2,1-3H3,(H,27,29)(H2,26,28,35)