ethyl 4-[[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid ethyl ester Formula: C30H32N2O4S MolecularWeight: 516.65108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O4S/c1-2-36-30(35)23-16-18-24(19-17-23)31-29(34)27(21-10-5-3-6-11-21)37-26-15-9-14-25(20-26)32-28(33)22-12-7-4-8-13-22/h3,5-6,9-11,14-20,22,27H,2,4,7-8,12-13H2,1H3,(H,31,34)(H,32,33)