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

Systemtic Name: 4-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-chloro-4-fluoro-phenyl)methyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(3-chloro-4-fluorophenyl)methyl]-N-(3-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-4-fluoro-benzyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide Formula: C18H18Cl2FN3S MolecularWeight: 398.325023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)F)Cl)C(=S)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18Cl2FN3S/c19-14-2-1-3-15(11-14)22-18(25)24-8-6-23(7-9-24)12-13-4-5-17(21)16(20)10-13/h1-5,10-11H,6-9,12H2,(H,22,25)