4-(1,3-benzothiazol-2-yl)-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-methyl-piperazine-1-carbothioamide Formula: C13H16N4S2 MolecularWeight: 292.42294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H16N4S2/c1-14-12(18)16-6-8-17(9-7-16)13-15-10-4-2-3-5-11(10)19-13/h2-5H,6-9H2,1H3,(H,14,18)