3-[(3-ethanoylphenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(3-ethanoylphenyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(3-acetylphenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[(3-acetylanilino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[(3-acetylphenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(3-acetylphenyl)thiocarbamoylthio]propionic acid Formula: C12H13NO3S2 MolecularWeight: 283.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)SCCC(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)SCCC(=O)O

InChI

InChI=1S/C12H13NO3S2/c1-8(14)9-3-2-4-10(7-9)13-12(17)18-6-5-11(15)16/h2-4,7H,5-6H2,1H3,(H,13,17)(H,15,16)