[4-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [4-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [4-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [4-[[3-[heptyl-[(hexylamino)-oxomethyl]amino]phenyl]thio]phenyl] ester IUPAC Name: [4-[3-[heptyl(hexylcarbamoyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [4-[[3-[heptyl(hexylcarbamoyl)amino]phenyl]thio]phenyl] ester Formula: C30H44N2O3S MolecularWeight: 512.74696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)OC(=O)CCC)C(=O)NCCCCCC

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=C(C=C2)OC(=O)CCC)C(=O)NCCCCCC

InChI

InChI=1S/C30H44N2O3S/c1-4-7-9-11-13-23-32(30(34)31-22-12-10-8-5-2)25-16-14-17-28(24-25)36-27-20-18-26(19-21-27)35-29(33)15-6-3/h14,16-21,24H,4-13,15,22-23H2,1-3H3,(H,31,34)