4-(1,3-benzodioxol-5-ylmethyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-chloranyl-3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C20H19ClF3N3O2S MolecularWeight: 457.89697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H19ClF3N3O2S/c21-16-3-2-14(10-15(16)20(22,23)24)25-19(30)27-7-5-26(6-8-27)11-13-1-4-17-18(9-13)29-12-28-17/h1-4,9-10H,5-8,11-12H2,(H,25,30)