4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide CAS Name: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbothioamide Formula: C14H16ClF3N4S MolecularWeight: 364.81685

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C14H16ClF3N4S/c1-2-3-19-13(23)22-6-4-21(5-7-22)12-11(15)8-10(9-20-12)14(16,17)18/h2,8-9H,1,3-7H2,(H,19,23)