3-[[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]-4-methyl-benzoic acid Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C29H30N2O4S/c1-19-15-16-22(29(34)35)17-25(19)31-28(33)26(20-9-4-2-5-10-20)36-24-14-8-13-23(18-24)30-27(32)21-11-6-3-7-12-21/h2,4-5,8-10,13-18,21,26H,3,6-7,11-12H2,1H3,(H,30,32)(H,31,33)(H,34,35)