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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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