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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(3-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(3-chloro-4-fluoro-benzyl)piperazine-1-carbothioamide Formula: C19H19ClFN3O2S MolecularWeight: 407.889463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClFN3O2S/c20-15-9-13(1-3-16(15)21)11-23-5-7-24(8-6-23)19(27)22-14-2-4-17-18(10-14)26-12-25-17/h1-4,9-10H,5-8,11-12H2,(H,22,27)