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

Systemtic Name: [3-[4-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[butyl-[oxo-(phenethylamino)methyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[butyl(phenethylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C29H34N2O3S/c1-3-5-21-31(29(33)30-20-19-23-11-7-6-8-12-23)24-15-17-26(18-16-24)35-27-14-9-13-25(22-27)34-28(32)10-4-2/h6-9,11-18,22H,3-5,10,19-21H2,1-2H3,(H,30,33)