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

Systemtic Name: 2,5-bis(chloranyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-3-carboxamide Openeye Name: 2,5-dichloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-3-carboxamide CAS Name: 2,5-dichloro-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-3-thiophenecarboxamide IUPAC Name: 2,5-dichloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-3-carboxamide Traditional Name: 2,5-dichloro-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]thiophene-3-carboxamide Formula: C17H17Cl2N4OS2+ MolecularWeight: 428.37908

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=C(SC(=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N4OS2/c1-22-4-6-23(7-5-22)17-21-12-3-2-10(8-13(12)25-17)20-16(24)11-9-14(18)26-15(11)19/h2-3,8-9H,4-7H2,1H3,(H,20,24)/p+1