methyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbamothioylamino]propanoate

Systemtic Name: methyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbamothioylamino]propanoate Openeye Name: methyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbamothioylamino]propanoate CAS Name: 3-[[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)anilino]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]carbamothioylamino]propanoate Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)phenyl]thiocarbamoylamino]propionic acid methyl ester Formula: C19H21N3O6S2 MolecularWeight: 451.51654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)CCNC(=S)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21N3O6S2/c1-26-18(23)8-9-20-19(29)21-13-2-4-14(5-3-13)22-30(24,25)15-6-7-16-17(12-15)28-11-10-27-16/h2-7,12,22H,8-11H2,1H3,(H2,20,21,29)