ethyl 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]butanoylamino]benzoic acid ethyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C26H32N2O4S/c1-3-23(25(30)27-20-15-13-19(14-16-20)26(31)32-4-2)33-22-12-8-11-21(17-22)28-24(29)18-9-6-5-7-10-18/h8,11-18,23H,3-7,9-10H2,1-2H3,(H,27,30)(H,28,29)