ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[1-(1,3-benzodioxol-5-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-3-23-18(22)13-4-7-15(8-5-13)21-19(26)20-12(2)14-6-9-16-17(10-14)25-11-24-16/h4-10,12H,3,11H2,1-2H3,(H2,20,21,26)