3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C23H26N2O4S/c1-15-10-11-17(23(28)29)12-20(15)25-21(26)14-30-19-9-5-8-18(13-19)24-22(27)16-6-3-2-4-7-16/h5,8-13,16H,2-4,6-7,14H2,1H3,(H,24,27)(H,25,26)(H,28,29)