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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzofuran-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-2-benzofurancarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]coumarilamide Formula: C21H21N4O2S+ MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C21H20N4O2S/c1-24-8-10-25(11-9-24)21-23-16-7-6-15(13-19(16)28-21)22-20(26)18-12-14-4-2-3-5-17(14)27-18/h2-7,12-13H,8-11H2,1H3,(H,22,26)/p+1