4-azanyl-2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]methyl]isoindoline-1,3-quinone Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CN4C(=O)C5=C(C4=O)C(=CC=C5)N

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)CN4C(=O)C5=C(C4=O)C(=CC=C5)N

InChI

InChI=1S/C22H23N5O2S/c1-14(20-24-17-7-2-3-8-18(17)30-20)26-11-9-25(10-12-26)13-27-21(28)15-5-4-6-16(23)19(15)22(27)29/h2-8,14H,9-13,23H2,1H3