ethyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate

Systemtic Name: ethyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Traditional Name: 3-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H16N2O4S/c1-2-21-16(20)11-4-3-5-12(8-11)18-17(24)19-13-6-7-14-15(9-13)23-10-22-14/h3-9H,2,10H2,1H3,(H2,18,19,24)