3,4-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]butanoic acid

Systemtic Name: 3,4-bis[(3-oxidanylidene-3-phenyl-propanethioyl)amino]butanoic acid Openeye Name: 3,4-bis[(3-oxo-3-phenyl-propanethioyl)amino]butanoic acid CAS Name: 3,4-bis[(3-oxo-3-phenyl-1-sulfanylidenepropyl)amino]butanoic acid IUPAC Name: 3,4-bis[(3-oxo-3-phenylpropanethioyl)amino]butanoic acid Traditional Name: 3,4-bis[(3-keto-3-phenyl-propanethioyl)amino]butyric acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S2/c25-18(15-7-3-1-4-8-15)12-20(29)23-14-17(11-22(27)28)24-21(30)13-19(26)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,23,29)(H,24,30)(H,27,28)