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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-phenylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-phenylpiperazine-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-phenylpiperazine-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C32H31N5O3S MolecularWeight: 565.68524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=NC7=CC=CC=C7S6

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=NC7=CC=CC=C7S6

InChI

InChI=1S/C32H31N5O3S/c38-30(36-19-17-34(18-20-36)23-7-2-1-3-8-23)22-13-15-35(16-14-22)26-11-6-9-24-29(26)32(40)37(31(24)39)21-28-33-25-10-4-5-12-27(25)41-28/h1-12,22H,13-21H2