[3-[4-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] ethanoate

Systemtic Name: [3-[4-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] ethanoate Openeye Name: [3-[4-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] acetate CAS Name: acetic acid [3-[[4-[[(hexylamino)-oxomethyl]-(1-phenylethyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] acetate Traditional Name: acetic acid [3-[[4-[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=C(C=C1)SC2=CC=CC(=C2)OC(=O)C)C(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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