4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C16H17F6N3O2S2 MolecularWeight: 461.445499

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H17F6N3O2S2/c1-2-3-23-14(28)24-4-6-25(7-5-24)29(26,27)13-9-11(15(17,18)19)8-12(10-13)16(20,21)22/h2,8-10H,1,3-7H2,(H,23,28)