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

Systemtic Name: 4-(2-bromophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(2-bromophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(2-bromophenyl)sulfonyl-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2-bromophenyl)sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2-bromophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Formula: C13H18BrN3O2S2 MolecularWeight: 392.33492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3O2S2/c1-2-15-13(20)16-7-9-17(10-8-16)21(18,19)12-6-4-3-5-11(12)14/h3-6H,2,7-10H2,1H3,(H,15,20)