3-[(2,5-diethanoylphenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(2,5-diethanoylphenyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(2,5-diacetylphenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[(2,5-diacetylanilino)-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[(2,5-diacetylphenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(2,5-diacetylphenyl)thiocarbamoylthio]propionic acid Formula: C14H15NO4S2 MolecularWeight: 325.4032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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