N-[2-(1H-imidazol-2-ylsulfanyl)-5-(trifluoromethyl)phenyl]-4-methyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(1H-imidazol-2-ylsulfanyl)-5-(trifluoromethyl)phenyl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[2-(1H-imidazol-2-ylsulfanyl)-5-(trifluoromethyl)phenyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)phenyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[2-(1H-imidazol-2-ylsulfanyl)-5-(trifluoromethyl)phenyl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[2-(1H-imidazol-2-ylthio)-5-(trifluoromethyl)phenyl]-4-methyl-piperazine-1-carboxamide Formula: C16H18F3N5OS MolecularWeight: 385.40723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)SC3=NC=CN3

Isomeric SMILES

CN1CCN(CC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)SC3=NC=CN3

InChI

InChI=1S/C16H18F3N5OS/c1-23-6-8-24(9-7-23)15(25)22-12-10-11(16(17,18)19)2-3-13(12)26-14-20-4-5-21-14/h2-5,10H,6-9H2,1H3,(H,20,21)(H,22,25)