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

Systemtic Name: 5-chloranyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-2-carboxamide Formula: C17H18ClN4OS2+ MolecularWeight: 393.93402

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4OS2/c1-21-6-8-22(9-7-21)17-20-12-3-2-11(10-14(12)25-17)19-16(23)13-4-5-15(18)24-13/h2-5,10H,6-9H2,1H3,(H,19,23)/p+1