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

Systemtic Name: ethyl 2-[3-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[heptyl-[(hexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[heptyl(hexylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C30H44N2O3S MolecularWeight: 512.74696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N2O3S/c1-4-7-9-11-13-21-32(30(34)31-20-12-10-8-5-2)26-17-15-19-28(24-26)36-27-18-14-16-25(22-27)23-29(33)35-6-3/h14-19,22,24H,4-13,20-21,23H2,1-3H3,(H,31,34)