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

Systemtic Name: [3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[4-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[4-[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=C(C=C1)SC2=CC=CC(=C2)OC(=O)C)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

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