(2R)-2-(cyclohexylmethyl)-4-oxidanylidene-4-thiomorpholin-4-yl-N-[(2S)-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl]butanamide

Systemtic Name: (2R)-2-(cyclohexylmethyl)-4-oxidanylidene-4-thiomorpholin-4-yl-N-[(2S)-1-[[4-(trifluoromethyloxy)phenyl]amino]propan-2-yl]butanamide Openeye Name: (2R)-2-(cyclohexylmethyl)-N-[(1S)-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl]-4-oxo-4-thiomorpholino-butanamide CAS Name: (2R)-2-(cyclohexylmethyl)-4-oxo-4-thiomorpholin-4-yl-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide IUPAC Name: (2R)-2-(cyclohexylmethyl)-4-oxo-4-thiomorpholin-4-yl-N-[(2S)-1-[4-(trifluoromethoxy)anilino]propan-2-yl]butanamide Traditional Name: (2R)-2-(cyclohexylmethyl)-4-keto-N-[(1S)-1-methyl-2-[4-(trifluoromethoxy)anilino]ethyl]-4-thiomorpholino-butyramide Formula: C25H36F3N3O3S MolecularWeight: 515.63185

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=C(C=C1)OC(F)(F)F)NC(=O)C(CC2CCCCC2)CC(=O)N3CCSCC3

Isomeric SMILES

C[C@@H](CNC1=CC=C(C=C1)OC(F)(F)F)NC(=O)[C@H](CC2CCCCC2)CC(=O)N3CCSCC3

InChI

InChI=1S/C25H36F3N3O3S/c1-18(17-29-21-7-9-22(10-8-21)34-25(26,27)28)30-24(33)20(15-19-5-3-2-4-6-19)16-23(32)31-11-13-35-14-12-31/h7-10,18-20,29H,2-6,11-17H2,1H3,(H,30,33)/t18-,20+/m0/s1