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

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

Isomeric SMILES

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

InChI

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