2-(2-methyl-1,3-benzothiazol-5-yl)-4-[4-(2-pyridin-3-ylpiperidin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[4-(2-pyridin-3-ylpiperidin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[4-[2-(3-pyridyl)piperidine-1-carbonyl]-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[4-[oxo-[2-(3-pyridinyl)-1-piperidinyl]methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[4-(2-pyridin-3-ylpiperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[4-[2-(3-pyridyl)piperidine-1-carbonyl]piperidino]isoindoline-1,3-quinone Formula: C32H31N5O3S MolecularWeight: 565.68524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CCC(CC5)C(=O)N6CCCCC6C7=CN=CC=C7

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CCC(CC5)C(=O)N6CCCCC6C7=CN=CC=C7

InChI

InChI=1S/C32H31N5O3S/c1-20-34-25-18-23(10-11-28(25)41-20)37-31(39)24-7-4-9-27(29(24)32(37)40)35-16-12-21(13-17-35)30(38)36-15-3-2-8-26(36)22-6-5-14-33-19-22/h4-7,9-11,14,18-19,21,26H,2-3,8,12-13,15-17H2,1H3