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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C20H23ClFN3S MolecularWeight: 391.933123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)CC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H23ClFN3S/c1-15-2-4-16(5-3-15)13-23-20(26)25-10-8-24(9-11-25)14-17-6-7-19(22)18(21)12-17/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)