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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H23ClFN3S/c21-18-14-17(6-7-19(18)22)15-24-10-12-25(13-11-24)20(26)23-9-8-16-4-2-1-3-5-16/h1-7,14H,8-13,15H2,(H,23,26)