2-[3-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[3-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]ethanoic acid Openeye Name: 2-[3-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[3-[[4-[[(cyclohexylamino)-oxomethyl]-phenethylamino]phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[3-[4-[cyclohexylcarbamoyl(phenethyl)amino]phenyl]sulfanylphenyl]acetic acid Traditional Name: 2-[3-[[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=CC(=C4)CC(=O)O

Isomeric SMILES

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

InChI

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