3-[(2,6-diethanoylphenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(2,6-diethanoylphenyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(2,6-diacetylphenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[(2,6-diacetylanilino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[(2,6-diacetylphenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(2,6-diacetylphenyl)thiocarbamoylthio]propionic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO4S2/c1-8(16)10-4-3-5-11(9(2)17)13(10)15-14(20)21-7-6-12(18)19/h3-5H,6-7H2,1-2H3,(H,15,20)(H,18,19)