hexyl 4-[2-(4-methylphenyl)sulfanylethanoylamino]benzoate

Systemtic Name: hexyl 4-[2-(4-methylphenyl)sulfanylethanoylamino]benzoate Openeye Name: hexyl 4-[[2-(p-tolylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-(p-tolylthio)acetyl]amino]benzoic acid hexyl ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO3S/c1-3-4-5-6-15-26-22(25)18-9-11-19(12-10-18)23-21(24)16-27-20-13-7-17(2)8-14-20/h7-14H,3-6,15-16H2,1-2H3,(H,23,24)