4-(5-bromanylthiophen-2-yl)-N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]benzamide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)-N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]benzamide Openeye Name: 4-(5-bromo-2-thienyl)-N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]benzamide CAS Name: 4-(5-bromo-2-thiophenyl)-N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]benzamide IUPAC Name: 4-(5-bromothiophen-2-yl)-N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]benzamide Traditional Name: 4-(5-bromo-2-thienyl)-N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]benzamide Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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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=C(S3)Br

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC#N)NC(=O)C2=CC=C(C=C2)C3=CC=C(S3)Br

InChI

InChI=1S/C20H20BrN3O2S/c21-18-10-9-17(27-18)13-5-7-14(8-6-13)19(25)24-16-4-2-1-3-15(16)20(26)23-12-11-22/h5-10,15-16H,1-4,12H2,(H,23,26)(H,24,25)/t15-,16+/m1/s1