2,3-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]propanoic acid

Systemtic Name: 2,3-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]propanoic acid Openeye Name: 2,3-bis[(3-oxo-3-phenyl-propanethioyl)amino]propanoic acid CAS Name: 2,3-bis[(3-oxo-3-phenyl-1-sulfanylidenepropyl)amino]propanoic acid IUPAC Name: 2,3-bis[(3-oxo-3-phenylpropanethioyl)amino]propanoic acid Traditional Name: 2,3-bis[(3-keto-3-phenyl-propanethioyl)amino]propionic acid Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S2/c24-17(14-7-3-1-4-8-14)11-19(28)22-13-16(21(26)27)23-20(29)12-18(25)15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,22,28)(H,23,29)(H,26,27)