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

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

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)Cl

InChI

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