4-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[4-(cyclohexanecarbonylamino)phenyl]thio]acetyl]amino]benzoic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c25-20(23-17-8-6-16(7-9-17)22(27)28)14-29-19-12-10-18(11-13-19)24-21(26)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,23,25)(H,24,26)(H,27,28)