ethyl 2-[4-[3-[heptyl(pentylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[3-[heptyl(pentylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[3-[heptyl(pentylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[3-[heptyl-[oxo-(pentylamino)methyl]amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[3-[heptyl(pentylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[3-[amylcarbamoyl(heptyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C29H42N2O3S MolecularWeight: 498.72038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NCCCCC

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)CC(=O)OCC)C(=O)NCCCCC

InChI

InChI=1S/C29H42N2O3S/c1-4-7-9-10-12-21-31(29(33)30-20-11-8-5-2)25-14-13-15-27(23-25)35-26-18-16-24(17-19-26)22-28(32)34-6-3/h13-19,23H,4-12,20-22H2,1-3H3,(H,30,33)