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

Systemtic Name: [3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-[butyl-[oxo-(phenethylamino)methyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[butyl(phenethylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-[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(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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