2-[4-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[4-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[4-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[4-[[4-[[(cyclohexylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[4-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[4-[[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]thio]phenyl]acetic acid Formula: C29H32N2O3S MolecularWeight: 488.64098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N(CCC2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)CC(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)N(CCC2=CC=CC=C2)C3=CC=C(C=C3)SC4=CC=C(C=C4)CC(=O)O

InChI

InChI=1S/C29H32N2O3S/c32-28(33)21-23-11-15-26(16-12-23)35-27-17-13-25(14-18-27)31(20-19-22-7-3-1-4-8-22)29(34)30-24-9-5-2-6-10-24/h1,3-4,7-8,11-18,24H,2,5-6,9-10,19-21H2,(H,30,34)(H,32,33)