(2S)-2-[(4-acetamidophenyl)-(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-methylphenyl)ethanamide

Systemtic Name: (2S)-2-[(4-acetamidophenyl)-(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-methylphenyl)ethanamide Openeye Name: (2S)-2-(4-acetamido-N-[2-(2-thienyl)acetyl]anilino)-N-cyclohexyl-2-(p-tolyl)acetamide CAS Name: (2S)-2-(4-acetamido-N-(1-oxo-2-thiophen-2-ylethyl)anilino)-N-cyclohexyl-2-(4-methylphenyl)acetamide IUPAC Name: (2S)-2-(4-acetamido-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-methylphenyl)acetamide Traditional Name: (2S)-2-(4-acetamido-N-[2-(2-thienyl)acetyl]anilino)-N-cyclohexyl-2-(p-tolyl)acetamide Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)NC(=O)C)C(=O)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC=C(C=C3)NC(=O)C)C(=O)CC4=CC=CS4

InChI

InChI=1S/C29H33N3O3S/c1-20-10-12-22(13-11-20)28(29(35)31-23-7-4-3-5-8-23)32(27(34)19-26-9-6-18-36-26)25-16-14-24(15-17-25)30-21(2)33/h6,9-18,23,28H,3-5,7-8,19H2,1-2H3,(H,30,33)(H,31,35)/t28-/m0/s1