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

Systemtic Name: [3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate Openeye Name: [3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate CAS Name: butanoic acid [3-[[4-[[(cyclohexylamino)-oxomethyl]-heptylamino]phenyl]thio]phenyl] ester IUPAC Name: [3-[4-[cyclohexylcarbamoyl(heptyl)amino]phenyl]sulfanylphenyl] butanoate Traditional Name: butyric acid [3-[[4-[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=C(C=C1)SC2=CC=CC(=C2)OC(=O)CCC)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

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