4-(1,2-benzothiazol-3-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,2-benzothiazol-3-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,2-benzothiazol-3-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(1,2-benzothiazol-3-yl)-N-[4-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,2-benzothiazol-3-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(1,2-benzothiazol-3-yl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H17F3N4S2 MolecularWeight: 422.49029

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=S)NC4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=S)NC4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H17F3N4S2/c20-19(21,22)13-5-7-14(8-6-13)23-18(27)26-11-9-25(10-12-26)17-15-3-1-2-4-16(15)28-24-17/h1-8H,9-12H2,(H,23,27)