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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-naphthalen-1-yl-piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(1-naphthyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(1-naphthalenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-naphthalen-1-ylpiperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(1-naphthyl)piperazine-1-carbothioamide Formula: C22H21ClFN3S MolecularWeight: 413.938643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H21ClFN3S/c23-19-14-16(8-9-20(19)24)15-26-10-12-27(13-11-26)22(28)25-21-7-3-5-17-4-1-2-6-18(17)21/h1-9,14H,10-13,15H2,(H,25,28)