N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[[3-(trifluoromethyl)phenyl]amino]benzamide

Systemtic Name: N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-[[3-(trifluoromethyl)phenyl]amino]benzamide Openeye Name: N-[(1S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]carbamoyl]-3-methylsulfanyl-propyl]-2-[3-(trifluoromethyl)anilino]benzamide CAS Name: N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-4-(methylthio)-1-oxobutan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide IUPAC Name: N-[(2S)-1-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-[3-(trifluoromethyl)anilino]benzamide Traditional Name: N-[(1S)-1-[[(1S,5S)-8-(4-chlorobenzyl)-8-azabicyclo[3.2.1]octan-3-yl]carbamoyl]-3-(methylthio)propyl]-2-[3-(trifluoromethyl)anilino]benzamide Formula: C33H36ClF3N4O2S MolecularWeight: 645.17775

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CC2CCC(C1)N2CC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4NC5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

CSCC[C@@H](C(=O)NC1C[C@@H]2CC[C@@H](C1)N2CC3=CC=C(C=C3)Cl)NC(=O)C4=CC=CC=C4NC5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C33H36ClF3N4O2S/c1-44-16-15-30(32(43)39-25-18-26-13-14-27(19-25)41(26)20-21-9-11-23(34)12-10-21)40-31(42)28-7-2-3-8-29(28)38-24-6-4-5-22(17-24)33(35,36)37/h2-12,17,25-27,30,38H,13-16,18-20H2,1H3,(H,39,43)(H,40,42)/t26-,27-,30-/m0/s1