N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-thiomorpholin-4-yl-benzamide

Systemtic Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-thiomorpholin-4-yl-benzamide Openeye Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-thiomorpholino-benzamide CAS Name: N-[(1S,2R)-2-[[[(1S)-1-cyano-3-methylbutyl]amino]-oxomethyl]cyclohexyl]-4-thiomorpholin-4-ylbenzamide IUPAC Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methylbutyl]carbamoyl]cyclohexyl]-4-thiomorpholin-4-ylbenzamide Traditional Name: N-[(1S,2R)-2-[[(1S)-1-cyano-3-methyl-butyl]carbamoyl]cyclohexyl]-4-thiomorpholino-benzamide Formula: C24H34N4O2S MolecularWeight: 442.61736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#N)NC(=O)C1CCCCC1NC(=O)C2=CC=C(C=C2)N3CCSCC3

Isomeric SMILES

CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)N3CCSCC3

InChI

InChI=1S/C24H34N4O2S/c1-17(2)15-19(16-25)26-24(30)21-5-3-4-6-22(21)27-23(29)18-7-9-20(10-8-18)28-11-13-31-14-12-28/h7-10,17,19,21-22H,3-6,11-15H2,1-2H3,(H,26,30)(H,27,29)/t19-,21+,22-/m0/s1