4-azanyl-3-oxidanylidene-2-(3,3,3-triphenylpropanethioylamino)butanoic acid

Systemtic Name: 4-azanyl-3-oxidanylidene-2-(3,3,3-triphenylpropanethioylamino)butanoic acid Openeye Name: 4-amino-3-oxo-2-(3,3,3-triphenylpropanethioylamino)butanoic acid CAS Name: 4-amino-3-oxo-2-[(3,3,3-triphenyl-1-sulfanylidenepropyl)amino]butanoic acid IUPAC Name: 4-amino-3-oxo-2-(3,3,3-triphenylpropanethioylamino)butanoic acid Traditional Name: 4-amino-3-keto-2-(3,3,3-triphenylpropanethioylamino)butyric acid Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=S)NC(C(=O)CN)C(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=S)NC(C(=O)CN)C(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O3S/c26-17-21(28)23(24(29)30)27-22(31)16-25(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,23H,16-17,26H2,(H,27,31)(H,29,30)