4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C17H19ClFN3OS MolecularWeight: 367.868663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NCC3=CC=CO3

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H19ClFN3OS/c18-15-10-13(3-4-16(15)19)12-21-5-7-22(8-6-21)17(24)20-11-14-2-1-9-23-14/h1-4,9-10H,5-8,11-12H2,(H,20,24)