[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[butyl-[(cyclohexylamino)-oxomethyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C27H36N2O3S MolecularWeight: 468.65134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NC3CCCCC3

InChI

InChI=1S/C27H36N2O3S/c1-3-5-19-29(27(31)28-21-11-7-6-8-12-21)22-15-17-24(18-16-22)33-25-14-9-13-23(20-25)32-26(30)10-4-2/h9,13-18,20-21H,3-8,10-12,19H2,1-2H3,(H,28,31)