N-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(3-fluorobenzyl)piperazine-1-carbothioamide Formula: C19H20FN3O2S MolecularWeight: 373.444403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)F)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)F)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

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