2-azanyl-N-[2-[[1-methyl-4-[(4-methylsulfanylphenyl)methylamino]piperidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide

Systemtic Name: 2-azanyl-N-[2-[[1-methyl-4-[(4-methylsulfanylphenyl)methylamino]piperidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide Openeye Name: 2-amino-N-[2-[[1-methyl-4-[(4-methylsulfanylphenyl)methylamino]-3-piperidyl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: 2-amino-N-[2-[[1-methyl-4-[[4-(methylthio)phenyl]methylamino]-3-piperidinyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide IUPAC Name: 2-amino-N-[2-[[1-methyl-4-[(4-methylsulfanylphenyl)methylamino]piperidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide Traditional Name: 2-amino-N-[2-keto-2-[[1-methyl-4-[[4-(methylthio)benzyl]amino]-3-piperidyl]amino]ethyl]-5-(trifluoromethyl)benzamide Formula: C24H30F3N5O2S MolecularWeight: 509.58751

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C(C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CN1CCC(C(C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)N)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H30F3N5O2S/c1-32-10-9-20(29-12-15-3-6-17(35-2)7-4-15)21(14-32)31-22(33)13-30-23(34)18-11-16(24(25,26)27)5-8-19(18)28/h3-8,11,20-21,29H,9-10,12-14,28H2,1-2H3,(H,30,34)(H,31,33)