[3-[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[butylamino(oxo)methyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[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=C(C=C2)SC3=CC=CC(=C3)OC(=O)CCC

Isomeric SMILES

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

InChI

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