4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methoxypropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methoxypropyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(3-methoxypropyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-methoxypropyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-methoxypropyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide Formula: C16H23ClFN3OS MolecularWeight: 359.889723

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

COCCCNC(=S)N1CCN(CC1)CC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C16H23ClFN3OS/c1-22-10-2-5-19-16(23)21-8-6-20(7-9-21)12-13-3-4-15(18)14(17)11-13/h3-4,11H,2,5-10,12H2,1H3,(H,19,23)