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

Systemtic Name: 4-[(1,3-benzodioxol-5-ylcarbamothioylamino)methyl]benzoate Openeye Name: 4-[(1,3-benzodioxol-5-ylcarbamothioylamino)methyl]benzoate CAS Name: 4-[[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]methyl]benzoate IUPAC Name: 4-[(1,3-benzodioxol-5-ylcarbamothioylamino)methyl]benzoate Traditional Name: 4-[(1,3-benzodioxol-5-ylthiocarbamoylamino)methyl]benzoate Formula: C16H13N2O4S- MolecularWeight: 329.35042

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H14N2O4S/c19-15(20)11-3-1-10(2-4-11)8-17-16(23)18-12-5-6-13-14(7-12)22-9-21-13/h1-7H,8-9H2,(H,19,20)(H2,17,18,23)/p-1