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2-[(carbamothioylamino)carbamoyl]benzoic acid

2-[(carbamothioylamino)carbamoyl]benzoic acid

Systemtic Name:2-[(carbamothioylamino)carbamoyl]benzoic acid
Openeye Name:2-[(carbamothioylamino)carbamoyl]benzoic acid
CAS Name:2-[(carbamothioylhydrazo)-oxomethyl]benzoic acid
IUPAC Name:2-[(carbamothioylamino)carbamoyl]benzoic acid
Traditional Name:2-(thioureidocarbamoyl)benzoic acid
Formula: C9H9N3O3S
MolecularWeight: 239.25106
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=S)N)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=S)N)C(=O)O


InChI

InChI=1S/C9H9N3O3S/c10-9(16)12-11-7(13)5-3-1-2-4-6(5)8(14)15/h1-4H,(H,11,13)(H,14,15)(H3,10,12,16)


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