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

Systemtic Name: [3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[4-[[butylamino(oxo)methyl]-heptylamino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[4-[butylcarbamoyl(heptyl)amino]phenyl]thio]phenyl] ester Formula: C26H36N2O3S MolecularWeight: 456.64064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3S/c1-4-6-8-9-10-19-28(26(30)27-18-7-5-2)22-14-16-24(17-15-22)32-25-13-11-12-23(20-25)31-21(3)29/h11-17,20H,4-10,18-19H2,1-3H3,(H,27,30)