butyl 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C26H32N2O4S/c1-2-3-16-32-26(31)20-12-14-21(15-13-20)27-24(29)18-33-23-11-7-10-22(17-23)28-25(30)19-8-5-4-6-9-19/h7,10-15,17,19H,2-6,8-9,16,18H2,1H3,(H,27,29)(H,28,30)