4-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-ethyl-piperazine-1-carbothioamide Formula: C12H18BrN3S2 MolecularWeight: 348.32542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CC2=CC=C(S2)Br

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CC2=CC=C(S2)Br

InChI

InChI=1S/C12H18BrN3S2/c1-2-14-12(17)16-7-5-15(6-8-16)9-10-3-4-11(13)18-10/h3-4H,2,5-9H2,1H3,(H,14,17)