ethyl 4-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-yloxy)ethanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(1,3-benzodioxol-5-yloxy)acetyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19N3O6S/c1-2-25-18(24)12-3-5-13(6-4-12)20-19(29)22-21-17(23)10-26-14-7-8-15-16(9-14)28-11-27-15/h3-9H,2,10-11H2,1H3,(H,21,23)(H2,20,22,29)