N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclopropyl-4-[4-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C15H18F3N3O2S2 MolecularWeight: 393.44753

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C15H18F3N3O2S2/c16-15(17,18)11-1-5-13(6-2-11)25(22,23)21-9-7-20(8-10-21)14(24)19-12-3-4-12/h1-2,5-6,12H,3-4,7-10H2,(H,19,24)