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

Systemtic Name: methyl 2-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[4-(cyclohexanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C24H28N2O4S/c1-16(22(27)26-21-11-7-6-10-20(21)24(29)30-2)31-19-14-12-18(13-15-19)25-23(28)17-8-4-3-5-9-17/h6-7,10-17H,3-5,8-9H2,1-2H3,(H,25,28)(H,26,27)