5-chloranyl-2-[2-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-[(4-cyclohexylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-(4-cyclohexylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[2-[[2-(4-cyclohexylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-(4-cyclohexylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[[2-(4-cyclohexylanilino)-2-keto-ethyl]thio]acetyl]amino]benzoic acid Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CSCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CSCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H25ClN2O4S/c24-17-8-11-20(19(12-17)23(29)30)26-22(28)14-31-13-21(27)25-18-9-6-16(7-10-18)15-4-2-1-3-5-15/h6-12,15H,1-5,13-14H2,(H,25,27)(H,26,28)(H,29,30)