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

Systemtic Name: [3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[3-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]thio]phenyl] ester Formula: C28H38N2O3S MolecularWeight: 482.67792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(=O)NC3CCCCC3

InChI

InChI=1S/C28H38N2O3S/c1-3-4-5-6-10-19-30(28(32)29-23-13-8-7-9-14-23)24-15-11-17-26(20-24)34-27-18-12-16-25(21-27)33-22(2)31/h11-12,15-18,20-21,23H,3-10,13-14,19H2,1-2H3,(H,29,32)