methyl 2-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: methyl 2-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 2-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 2-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]butanoylamino]benzoic acid methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4S/c1-3-22(24(29)27-21-15-8-7-14-20(21)25(30)31-2)32-19-13-9-12-18(16-19)26-23(28)17-10-5-4-6-11-17/h7-9,12-17,22H,3-6,10-11H2,1-2H3,(H,26,28)(H,27,29)