N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]ethanamide

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(5-methylthiophen-2-yl)methyl-phenethylamino]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]acetamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C22H27N3OS/c1-17-8-11-20(27-17)14-25(13-12-18-6-4-3-5-7-18)15-21(26)24-22(2,16-23)19-9-10-19/h3-8,11,19H,9-10,12-15H2,1-2H3,(H,24,26)/t22-/m1/s1