ethyl 4-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H19N3O5S/c1-2-25-18(24)12-7-9-13(10-8-12)20-19(28)22-21-17(23)16-11-26-14-5-3-4-6-15(14)27-16/h3-10,16H,2,11H2,1H3,(H,21,23)(H2,20,22,28)/t16-/m1/s1