2-chloranyl-5-[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: 2-chloranyl-5-[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxidanylidene-1-phenyl-imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: 2-chloro-5-[[2-[(4E)-4-[(4-dimethylaminophenyl)methylene]-5-oxo-1-phenyl-imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenyl-2-imidazolyl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 2-chloro-5-[[2-[(4E)-4-[(4-dimethylaminophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[[(4E)-4-[4-(dimethylamino)benzylidene]-5-keto-1-phenyl-2-imidazolin-2-yl]thio]acetyl]amino]benzoate Formula: C27H22ClN4O4S- MolecularWeight: 534.00598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C27H23ClN4O4S/c1-31(2)19-11-8-17(9-12-19)14-23-25(34)32(20-6-4-3-5-7-20)27(30-23)37-16-24(33)29-18-10-13-22(28)21(15-18)26(35)36/h3-15H,16H2,1-2H3,(H,29,33)(H,35,36)/p-1/b23-14+