N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2-(2-thienyl)acetamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2-thiophen-2-ylacetamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2-(2-thienyl)acetamide Formula: C18H21N4OS2+ MolecularWeight: 373.51554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC=CS4

InChI

InChI=1S/C18H20N4OS2/c1-21-6-8-22(9-7-21)18-20-15-5-4-13(11-16(15)25-18)19-17(23)12-14-3-2-10-24-14/h2-5,10-11H,6-9,12H2,1H3,(H,19,23)/p+1