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

Systemtic Name: [3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[3-[[butylamino(oxo)methyl]-heptylamino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[butylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[3-[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(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(=O)NCCCC

Isomeric SMILES

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

InChI

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