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

Systemtic Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]amino]ethanamide Openeye Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetamide CAS Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetamide IUPAC Name: N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]amino]acetamide Traditional Name: N-[(1S)-1-cyano-1-cyclopropyl-ethyl]-2-[[(R)-(4-ethylphenyl)-(2-thienyl)methyl]amino]acetamide Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C21H25N3OS/c1-3-15-6-8-16(9-7-15)20(18-5-4-12-26-18)23-13-19(25)24-21(2,14-22)17-10-11-17/h4-9,12,17,20,23H,3,10-11,13H2,1-2H3,(H,24,25)/t20-,21-/m1/s1