methyl 2-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

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