N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20FN3O2S/c20-15-2-4-16(5-3-15)22-7-9-23(10-8-22)19(26)21-12-14-1-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2,(H,21,26)