2-(2-methyl-1,3-benzothiazol-6-yl)-4-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-6-yl)-4-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]isoindole-1,3-dione Openeye Name: 2-(2-methyl-1,3-benzothiazol-6-yl)-4-[4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium-1-yl]isoindoline-1,3-dione CAS Name: 2-(2-methyl-1,3-benzothiazol-6-yl)-4-[4-[(3S)-3-thiolanyl]-1-piperazin-4-iumyl]isoindole-1,3-dione IUPAC Name: 2-(2-methyl-1,3-benzothiazol-6-yl)-4-[4-[(3S)-thiolan-3-yl]piperazin-4-ium-1-yl]isoindole-1,3-dione Traditional Name: 2-(2-methyl-1,3-benzothiazol-6-yl)-4-[4-[(3S)-tetrahydrothiophen-3-yl]piperazin-4-ium-1-yl]isoindoline-1,3-quinone Formula: C24H25N4O2S2+ MolecularWeight: 465.6109

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CC[NH+](CC5)C6CCSC6

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CC[NH+](CC5)[C@H]6CCSC6

InChI

InChI=1S/C24H24N4O2S2/c1-15-25-19-6-5-16(13-21(19)32-15)28-23(29)18-3-2-4-20(22(18)24(28)30)27-10-8-26(9-11-27)17-7-12-31-14-17/h2-6,13,17H,7-12,14H2,1H3/p+1/t17-/m0/s1