2-[3-[3-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[3-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[3-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[3-[[(cyclohexylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[3-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[3-[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(=CC=C3)SC4=CC=CC(=C4)CC(=O)O

Isomeric SMILES

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

InChI

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