N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide

Systemtic Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide Openeye Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-thienyl)benzamide CAS Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-thiophen-2-ylbenzamide IUPAC Name: N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-thiophen-2-ylbenzamide Traditional Name: N-[(1S)-1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-(2-thienyl)benzamide Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S/c1-13(2)12-16(19(24)21-10-9-20)22-18(23)15-7-5-14(6-8-15)17-4-3-11-25-17/h3-8,11,13,16H,10,12H2,1-2H3,(H,21,24)(H,22,23)/t16-/m0/s1