ethyl 2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate

Systemtic Name: ethyl 2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]ethanoate Openeye Name: ethyl 2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate CAS Name: 2-[3-[[4-[butyl-[(cyclohexylamino)-oxomethyl]amino]phenyl]thio]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[4-[butyl(cyclohexylcarbamoyl)amino]phenyl]sulfanylphenyl]acetate Traditional Name: 2-[3-[[4-[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=C(C=C1)SC2=CC=CC(=C2)CC(=O)OCC)C(=O)NC3CCCCC3

Isomeric SMILES

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

InChI

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