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

Systemtic Name: ethyl 2-[3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[[(hexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C32H40N2O3S MolecularWeight: 532.7366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)OCC

Isomeric SMILES

CCCCCCNC(=O)N(CCCC1=CC=CC=C1)C2=CC(=CC=C2)SC3=CC=CC(=C3)CC(=O)OCC

InChI

InChI=1S/C32H40N2O3S/c1-3-5-6-10-21-33-32(36)34(22-13-17-26-14-8-7-9-15-26)28-18-12-20-30(25-28)38-29-19-11-16-27(23-29)24-31(35)37-4-2/h7-9,11-12,14-16,18-20,23,25H,3-6,10,13,17,21-22,24H2,1-2H3,(H,33,36)