N-(1-phenyl-3-sulfanyl-propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: N-(1-phenyl-3-sulfanyl-propan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: N-(1-benzyl-2-sulfanyl-ethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: N-(1-mercapto-3-phenylpropan-2-yl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(1-phenyl-3-sulfanylpropan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-(1-benzyl-2-mercapto-ethyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C21H24F3N3OS MolecularWeight: 423.49497

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=CC=C3)CS

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(CC3=CC=CC=C3)CS

InChI

InChI=1S/C21H24F3N3OS/c22-21(23,24)17-7-4-8-19(14-17)26-9-11-27(12-10-26)20(28)25-18(15-29)13-16-5-2-1-3-6-16/h1-8,14,18,29H,9-13,15H2,(H,25,28)