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4-[(3-sulfanylphenyl)carbamothioylamino]benzoic acid

4-[(3-sulfanylphenyl)carbamothioylamino]benzoic acid

Systemtic Name:4-[(3-sulfanylphenyl)carbamothioylamino]benzoic acid
Openeye Name:4-[(3-sulfanylphenyl)carbamothioylamino]benzoic acid
CAS Name:4-[[(3-mercaptoanilino)-sulfanylidenemethyl]amino]benzoic acid
IUPAC Name:4-[(3-sulfanylphenyl)carbamothioylamino]benzoic acid
Traditional Name:4-[(3-mercaptophenyl)thiocarbamoylamino]benzoic acid
Formula: C14H12N2O2S2
MolecularWeight: 304.38728
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S)NC(=S)NC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)S)NC(=S)NC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C14H12N2O2S2/c17-13(18)9-4-6-10(7-5-9)15-14(20)16-11-2-1-3-12(19)8-11/h1-8,19H,(H,17,18)(H2,15,16,20)


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