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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H18F3N3O2S MolecularWeight: 409.42533

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H18F3N3O2S/c20-19(21,22)13-2-1-3-15(10-13)24-6-8-25(9-7-24)18(28)23-14-4-5-16-17(11-14)27-12-26-16/h1-5,10-11H,6-9,12H2,(H,23,28)