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

Systemtic Name: [3-[3-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-[butyl-[butylamino(oxo)methyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[butyl(butylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-[butyl(butylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CCCC)C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC

Isomeric SMILES

CCCCNC(=O)N(CCCC)C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC

InChI

InChI=1S/C25H34N2O3S/c1-4-7-16-26-25(29)27(17-8-5-2)20-12-9-14-22(18-20)31-23-15-10-13-21(19-23)30-24(28)11-6-3/h9-10,12-15,18-19H,4-8,11,16-17H2,1-3H3,(H,26,29)