4-(3-bromophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-bromophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(3-bromophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(3-bromophenyl)sulfonyl-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-bromophenyl)sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(3-bromophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Formula: C13H18BrN3O2S2 MolecularWeight: 392.33492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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