N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-yl-methyl]amino]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[(R)-(4-isopropylphenyl)-(2-thienyl)methyl]amino]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[(R)-p-cumenyl(2-thienyl)methyl]amino]acetamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C22H27N3OS/c1-15(2)16-6-8-17(9-7-16)21(19-5-4-12-27-19)24-13-20(26)25-22(3,14-23)18-10-11-18/h4-9,12,15,18,21,24H,10-11,13H2,1-3H3,(H,25,26)/t21-,22-/m1/s1