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

Systemtic Name: 3-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]propanoylamino]-4-methyl-benzoic acid Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C24H28N2O4S/c1-15-11-12-18(24(29)30)13-21(15)26-22(27)16(2)31-20-10-6-9-19(14-20)25-23(28)17-7-4-3-5-8-17/h6,9-14,16-17H,3-5,7-8H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)