(2S)-N-cyclohexyl-2-[2-(2-methylphenyl)ethyl-(2-thiophen-2-ylethanoyl)amino]-2-pyridin-4-yl-ethanamide

Systemtic Name: (2S)-N-cyclohexyl-2-[2-(2-methylphenyl)ethyl-(2-thiophen-2-ylethanoyl)amino]-2-pyridin-4-yl-ethanamide Openeye Name: (2S)-N-cyclohexyl-2-[2-(o-tolyl)ethyl-[2-(2-thienyl)acetyl]amino]-2-(4-pyridyl)acetamide CAS Name: (2S)-N-cyclohexyl-2-[2-(2-methylphenyl)ethyl-(1-oxo-2-thiophen-2-ylethyl)amino]-2-pyridin-4-ylacetamide IUPAC Name: (2S)-N-cyclohexyl-2-[2-(2-methylphenyl)ethyl-(2-thiophen-2-ylacetyl)amino]-2-pyridin-4-ylacetamide Traditional Name: (2S)-N-cyclohexyl-2-[2-(o-tolyl)ethyl-[2-(2-thienyl)acetyl]amino]-2-(4-pyridyl)acetamide Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCN(C(C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)CC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1CCN([C@@H](C2=CC=NC=C2)C(=O)NC3CCCCC3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C28H33N3O2S/c1-21-8-5-6-9-22(21)15-18-31(26(32)20-25-12-7-19-34-25)27(23-13-16-29-17-14-23)28(33)30-24-10-3-2-4-11-24/h5-9,12-14,16-17,19,24,27H,2-4,10-11,15,18,20H2,1H3,(H,30,33)/t27-/m0/s1