(E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-3-(2-thienyl)acrylamide Formula: C19H21N4OS2+ MolecularWeight: 385.52624

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C=CC4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C19H20N4OS2/c1-22-8-10-23(11-9-22)19-21-16-6-4-14(13-17(16)26-19)20-18(24)7-5-15-3-2-12-25-15/h2-7,12-13H,8-11H2,1H3,(H,20,24)/p+1/b7-5+