4-(2-bromophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(2-bromophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(2-bromophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(2-bromophenyl)sulfonyl-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-bromophenyl)sulfonyl-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(2-bromophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Formula: C12H16BrN3O2S2 MolecularWeight: 378.30834

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C12H16BrN3O2S2/c1-14-12(19)15-6-8-16(9-7-15)20(17,18)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3,(H,14,19)