[3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate

Systemtic Name: [3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[3-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl] ester IUPAC Name: [3-[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[3-[cyclohexylcarbamoyl(heptyl)amino]phenyl]thio]phenyl] ester Formula: C30H42N2O3S MolecularWeight: 510.73108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NC3CCCCC3

InChI

InChI=1S/C30H42N2O3S/c1-3-5-6-7-11-21-32(30(34)31-24-15-9-8-10-16-24)25-17-12-19-27(22-25)36-28-20-13-18-26(23-28)35-29(33)14-4-2/h12-13,17-20,22-24H,3-11,14-16,21H2,1-2H3,(H,31,34)