2-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione

Systemtic Name: 2-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Openeye Name: 2-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindoline-1,3-dione CAS Name: 2-[2-[[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]isoindole-1,3-dione IUPAC Name: 2-[2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]isoindole-1,3-dione Traditional Name: 2-[2-[[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]thio]-1,3-benzothiazol-6-yl]isoindoline-1,3-quinone Formula: C22H21N4O3S2+ MolecularWeight: 453.55714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O3S2/c1-24-8-10-25(11-9-24)19(27)13-30-22-23-17-7-6-14(12-18(17)31-22)26-20(28)15-4-2-3-5-16(15)21(26)29/h2-7,12H,8-11,13H2,1H3/p+1