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

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H16BrClF3N3S MolecularWeight: 478.75695

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C18H16BrClF3N3S/c19-13-4-5-16(15(20)11-13)24-17(27)26-8-6-25(7-9-26)14-3-1-2-12(10-14)18(21,22)23/h1-5,10-11H,6-9H2,(H,24,27)