N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylamino)benzamide

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylamino)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(thiazol-2-ylmethylamino)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(2-thiazolylmethylamino)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(1,3-thiazol-2-ylmethylamino)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(thiazol-2-ylmethylamino)benzamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)NCC3=NC=CS3

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)NCC3=NC=CS3

InChI

InChI=1S/C20H23N5O2S/c21-9-10-23-20(27)16-3-1-2-4-17(16)25-19(26)14-5-7-15(8-6-14)24-13-18-22-11-12-28-18/h5-8,11-12,16-17,24H,1-4,10,13H2,(H,23,27)(H,25,26)/t16-,17+/m1/s1