ethyl 2-[4-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[4-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[4-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[4-[[4-[[(hexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[4-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[4-[[4-[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=C(C=C2)SC3=CC=C(C=C3)CC(=O)OCC

Isomeric SMILES

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

InChI

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