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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(4-chlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(4-chlorobenzyl)piperazine-1-carbothioamide Formula: C18H18BrCl2N3S MolecularWeight: 459.23062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrCl2N3S/c19-14-3-6-17(16(21)11-14)22-18(25)24-9-7-23(8-10-24)12-13-1-4-15(20)5-2-13/h1-6,11H,7-10,12H2,(H,22,25)