ethyl 4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(1,3-benzodioxol-5-ylcarbonylamino)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]benzoate CAS Name: 4-[[[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1,3-benzodioxole-5-carbonylamino)carbamothioylamino]benzoate Traditional Name: 4-[(piperonyloylamino)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/c1-2-24-17(23)11-3-6-13(7-4-11)19-18(27)21-20-16(22)12-5-8-14-15(9-12)26-10-25-14/h3-9H,2,10H2,1H3,(H,20,22)(H2,19,21,27)