methyl 2-[[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: methyl 2-[[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[[3-(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=CC(=C3)NC(=O)C4CCCCC4

Isomeric SMILES

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

InChI

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