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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(2-oxolanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(tetrahydrofurfuryl)piperazine-1-carbothioamide Formula: C17H23ClFN3OS MolecularWeight: 371.900423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H23ClFN3OS/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/h3-4,10,14H,1-2,5-9,11-12H2,(H,20,24)