[3-[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] ethanoate

Systemtic Name: [3-[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[3-[[(hexylamino)-oxomethyl]-(1-phenylethyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl] ester Formula: C29H34N2O3S MolecularWeight: 490.65686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)N(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)C)C(C)C3=CC=CC=C3

InChI

InChI=1S/C29H34N2O3S/c1-4-5-6-10-19-30-29(33)31(22(2)24-13-8-7-9-14-24)25-15-11-17-27(20-25)35-28-18-12-16-26(21-28)34-23(3)32/h7-9,11-18,20-22H,4-6,10,19H2,1-3H3,(H,30,33)