2-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]acetic acid CAS Name: 2-[4-[[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylcarbamothioylamino)phenyl]acetic acid Traditional Name: 2-[4-(1,3-benzodioxol-5-ylthiocarbamoylamino)phenyl]acetic acid Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)CC(=O)O

InChI

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