N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Openeye Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide CAS Name: N-(1,2,3-benzothiadiazol-5-yl)-4-(2-pyridin-1-iumyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-ylpiperazine-1-carbothioamide Traditional Name: N-(1,2,3-benzothiadiazol-5-yl)-4-pyridin-1-ium-2-yl-piperazine-1-carbothioamide Formula: C16H17N6S2+ MolecularWeight: 357.47638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC4=C(C=C3)SN=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=S)NC3=CC4=C(C=C3)SN=N4

InChI

InChI=1S/C16H16N6S2/c23-16(18-12-4-5-14-13(11-12)19-20-24-14)22-9-7-21(8-10-22)15-3-1-2-6-17-15/h1-6,11H,7-10H2,(H,18,23)/p+1