ethyl 2-[3-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[3-[butyl-[(cyclohexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[3-[butyl(cyclohexylcarbamoyl)amino]phenyl]thio]phenyl]acetic acid ethyl ester Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NC3CCCCC3

Isomeric SMILES

CCCCN(C1=CC(=CC=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NC3CCCCC3

InChI

InChI=1S/C27H36N2O3S/c1-3-5-17-29(27(31)28-22-12-7-6-8-13-22)23-14-10-16-25(20-23)33-24-15-9-11-21(18-24)19-26(30)32-4-2/h9-11,14-16,18,20,22H,3-8,12-13,17,19H2,1-2H3,(H,28,31)