4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C18H18Cl2FN3S MolecularWeight: 398.325023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)NCC3=CC=C(C=C3)F

InChI

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