N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-5-nitro-thiophene-2-carboxamide Formula: C17H18N5O3S2+ MolecularWeight: 404.48652

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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=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S2/c1-20-6-8-21(9-7-20)17-19-12-3-2-11(10-14(12)27-17)18-16(23)13-4-5-15(26-13)22(24)25/h2-5,10H,6-9H2,1H3,(H,18,23)/p+1