N-(2-dimethylaminoethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: N-(2-dimethylaminoethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(2-dimethylaminoethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(2-dimethylaminoethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-dimethylaminoethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(2-dimethylaminoethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C16H22F3N5O2S MolecularWeight: 405.43839

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC(=S)N1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H22F3N5O2S/c1-21(2)6-5-20-15(27)23-9-7-22(8-10-23)13-4-3-12(16(17,18)19)11-14(13)24(25)26/h3-4,11H,5-10H2,1-2H3,(H,20,27)