2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-propylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-propylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-propylpiperazine-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-[oxo-(4-propyl-1-piperazinyl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-propylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-propylpiperazine-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=NC6=CC=CC=C6S5

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2CCN(CC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H33N5O3S/c1-2-12-31-15-17-33(18-16-31)27(35)20-10-13-32(14-11-20)23-8-5-6-21-26(23)29(37)34(28(21)36)19-25-30-22-7-3-4-9-24(22)38-25/h3-9,20H,2,10-19H2,1H3