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

Systemtic Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(5-methylthiophen-2-yl)benzamide Openeye Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(5-methyl-2-thienyl)benzamide CAS Name: N-[(1S,2R)-2-[(cyanomethylamino)-oxomethyl]cyclohexyl]-4-(5-methyl-2-thiophenyl)benzamide IUPAC Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(5-methylthiophen-2-yl)benzamide Traditional Name: N-[(1S,2R)-2-(cyanomethylcarbamoyl)cyclohexyl]-4-(5-methyl-2-thienyl)benzamide Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=CC=C(C=C2)C(=O)NC3CCCCC3C(=O)NCC#N

Isomeric SMILES

CC1=CC=C(S1)C2=CC=C(C=C2)C(=O)N[C@H]3CCCC[C@H]3C(=O)NCC#N

InChI

InChI=1S/C21H23N3O2S/c1-14-6-11-19(27-14)15-7-9-16(10-8-15)20(25)24-18-5-3-2-4-17(18)21(26)23-13-12-22/h6-11,17-18H,2-5,13H2,1H3,(H,23,26)(H,24,25)/t17-,18+/m1/s1