N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(3-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(3-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(3-fluorobenzyl)piperazine-1-carbothioamide Formula: C18H18BrClFN3S MolecularWeight: 442.776023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrClFN3S/c19-14-4-5-17(16(20)11-14)22-18(25)24-8-6-23(7-9-24)12-13-2-1-3-15(21)10-13/h1-5,10-11H,6-9,12H2,(H,22,25)