methyl 2-[[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4CCCCC4

InChI

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