methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Openeye Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate CAS Name: 2-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Traditional Name: 2-(1,3-benzodioxol-5-ylthiocarbamoylamino)benzoic acid methyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O4S/c1-20-15(19)11-4-2-3-5-12(11)18-16(23)17-10-6-7-13-14(8-10)22-9-21-13/h2-8H,9H2,1H3,(H2,17,18,23)