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

Systemtic Name: [3-[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-[[(hexylamino)-oxomethyl]-(1-phenylethyl)amino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-[hexylcarbamoyl(1-phenylethyl)amino]phenyl]thio]phenyl] ester Formula: C31H38N2O3S MolecularWeight: 518.71002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O3S/c1-4-6-7-11-21-32-31(35)33(24(3)25-15-9-8-10-16-25)26-17-12-19-28(22-26)37-29-20-13-18-27(23-29)36-30(34)14-5-2/h8-10,12-13,15-20,22-24H,4-7,11,14,21H2,1-3H3,(H,32,35)