4-[(phenylmethyl)-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]butanoic acid

Systemtic Name: 4-[(phenylmethyl)-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]butanoic acid Openeye Name: 4-[N-benzyl-3-(2-thioxo-1H-imidazol-3-yl)anilino]butanoic acid CAS Name: 4-[N-(phenylmethyl)-3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]butanoic acid IUPAC Name: 4-[N-benzyl-3-(2-sulfanylidene-1H-imidazol-3-yl)anilino]butanoic acid Traditional Name: 4-[N-benzyl-3-(2-thioxo-4-imidazolin-1-yl)anilino]butyric acid Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCC(=O)O)C2=CC=CC(=C2)N3C=CNC3=S

Isomeric SMILES

C1=CC=C(C=C1)CN(CCCC(=O)O)C2=CC=CC(=C2)N3C=CNC3=S

InChI

InChI=1S/C20H21N3O2S/c24-19(25)10-5-12-22(15-16-6-2-1-3-7-16)17-8-4-9-18(14-17)23-13-11-21-20(23)26/h1-4,6-9,11,13-14H,5,10,12,15H2,(H,21,26)(H,24,25)