7a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione

Systemtic Name: 7a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione Openeye Name: 7a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione CAS Name: 7a-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-2-butyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione IUPAC Name: 7a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-2-butyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-dione Traditional Name: 7a-[4-(1,2-benzothiazol-3-yl)piperazino]-2-butyl-4,5,6,7-tetrahydro-3aH-isoindole-1,3-quinone Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2CCCCC2(C1=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=O)C2CCCCC2(C1=O)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H30N4O2S/c1-2-3-12-27-21(28)18-9-6-7-11-23(18,22(27)29)26-15-13-25(14-16-26)20-17-8-4-5-10-19(17)30-24-20/h4-5,8,10,18H,2-3,6-7,9,11-16H2,1H3