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

Systemtic Name: 2-(cyclohexylamino)-N-[2-[[4-[(4-methylsulfanylphenyl)methylamino]-1-propyl-piperidin-3-yl]amino]-2-oxidanylidene-ethyl]-5-(trifluoromethyl)benzamide Openeye Name: 2-(cyclohexylamino)-N-[2-[[4-[(4-methylsulfanylphenyl)methylamino]-1-propyl-3-piperidyl]amino]-2-oxo-ethyl]-5-(trifluoromethyl)benzamide CAS Name: 2-(cyclohexylamino)-N-[2-[[4-[[4-(methylthio)phenyl]methylamino]-1-propyl-3-piperidinyl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide IUPAC Name: 2-(cyclohexylamino)-N-[2-[[4-[(4-methylsulfanylphenyl)methylamino]-1-propylpiperidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide Traditional Name: 2-(cyclohexylamino)-N-[2-keto-2-[[4-[[4-(methylthio)benzyl]amino]-1-propyl-3-piperidyl]amino]ethyl]-5-(trifluoromethyl)benzamide Formula: C32H44F3N5O2S MolecularWeight: 619.78427

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(C(C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC3CCCCC3)NCC4=CC=C(C=C4)SC

Isomeric SMILES

CCCN1CCC(C(C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)C(F)(F)F)NC3CCCCC3)NCC4=CC=C(C=C4)SC

InChI

InChI=1S/C32H44F3N5O2S/c1-3-16-40-17-15-28(36-19-22-9-12-25(43-2)13-10-22)29(21-40)39-30(41)20-37-31(42)26-18-23(32(33,34)35)11-14-27(26)38-24-7-5-4-6-8-24/h9-14,18,24,28-29,36,38H,3-8,15-17,19-21H2,1-2H3,(H,37,42)(H,39,41)