3-[2-[(4E)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-[(4E)-5-oxidanylidene-1-phenyl-4-(phenylmethylidene)imidazol-2-yl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[(4E)-4-benzylidene-5-oxo-1-phenyl-imidazol-2-yl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[(4E)-5-oxo-1-phenyl-4-(phenylmethylene)-2-imidazolyl]thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[(4E)-4-benzylidene-5-oxo-1-phenylimidazol-2-yl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[(4E)-4-benzal-5-keto-1-phenyl-2-imidazolin-2-yl]thio]butanoylamino]benzoic acid Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC(=CC3=CC=CC=C3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=N/C(=C/C3=CC=CC=C3)/C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4S/c1-2-23(24(31)28-20-13-9-12-19(17-20)26(33)34)35-27-29-22(16-18-10-5-3-6-11-18)25(32)30(27)21-14-7-4-8-15-21/h3-17,23H,2H2,1H3,(H,28,31)(H,33,34)/b22-16+