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

Systemtic Name: [3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[butylamino(oxo)methyl]-heptylamino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[butylcarbamoyl(heptyl)amino]phenyl]thio]phenyl] ester Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NCCCC

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NCCCC

InChI

InChI=1S/C28H40N2O3S/c1-4-7-9-10-11-21-30(28(32)29-20-8-5-2)23-16-18-25(19-17-23)34-26-15-12-14-24(22-26)33-27(31)13-6-3/h12,14-19,22H,4-11,13,20-21H2,1-3H3,(H,29,32)