7-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-1-benzofuran-2-carboxamide

Systemtic Name: 7-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-1-benzofuran-2-carboxamide Openeye Name: 7-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzofuran-2-carboxamide CAS Name: 7-methoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-2-benzofurancarboxamide IUPAC Name: 7-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-1-benzofuran-2-carboxamide Traditional Name: 7-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]coumarilamide Formula: C22H23N4O3S+ MolecularWeight: 423.50802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C22H22N4O3S/c1-25-8-10-26(11-9-25)22-24-16-7-6-15(13-19(16)30-22)23-21(27)18-12-14-4-3-5-17(28-2)20(14)29-18/h3-7,12-13H,8-11H2,1-2H3,(H,23,27)/p+1