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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)N[C@](C)(C#N)C3CC3

InChI

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