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

Systemtic Name: [3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[3-[[(hexylamino)-oxomethyl]-(3-phenylpropyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[3-[hexylcarbamoyl(3-phenylpropyl)amino]phenyl]thio]phenyl] ester Formula: C30H36N2O3S MolecularWeight: 504.68344

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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)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O3S/c1-3-4-5-9-20-31-30(34)32(21-12-15-25-13-7-6-8-14-25)26-16-10-18-28(22-26)36-29-19-11-17-27(23-29)35-24(2)33/h6-8,10-11,13-14,16-19,22-23H,3-5,9,12,15,20-21H2,1-2H3,(H,31,34)