methyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate CAS Name: 4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylcarbamothioylamino)benzoate Traditional Name: 4-(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=C(C=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

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

InChI

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