N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-thiophen-2-yl-benzamide

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-thiophen-2-yl-benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-thienyl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-thiophen-2-ylbenzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-thiophen-2-ylbenzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(2-thienyl)benzamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CC=CS3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CC=CS3

InChI

InChI=1S/C20H21N3O2S/c21-11-12-22-20(25)16-4-1-2-5-17(16)23-19(24)15-9-7-14(8-10-15)18-6-3-13-26-18/h3,6-10,13,16-17H,1-2,4-5,12H2,(H,22,25)(H,23,24)/t16-,17+/m1/s1