[3-[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-[[butylamino(oxo)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl] ester Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)OC(=O)CCC

Isomeric SMILES

CCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)OC(=O)CCC

InChI

InChI=1S/C30H36N2O3S/c1-3-5-20-31-30(34)32(21-11-15-24-13-7-6-8-14-24)25-16-9-18-27(22-25)36-28-19-10-17-26(23-28)35-29(33)12-4-2/h6-10,13-14,16-19,22-23H,3-5,11-12,15,20-21H2,1-2H3,(H,31,34)