methyl 2-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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