N-(4-bromanyl-2-chloranyl-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C12H15BrClN3O2S2 MolecularWeight: 412.7534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C12H15BrClN3O2S2/c1-21(18,19)17-6-4-16(5-7-17)12(20)15-11-3-2-9(13)8-10(11)14/h2-3,8H,4-7H2,1H3,(H,15,20)