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

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-cyclohexylpiperazin-1-yl)carbonylpiperidin-1-yl]isoindole-1,3-dione Openeye Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-cyclohexylpiperazine-1-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(1,3-benzothiazol-2-ylmethyl)-4-[4-(4-cyclohexylpiperazine-1-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C32H37N5O3S MolecularWeight: 571.73288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=NC7=CC=CC=C7S6

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC5=C4C(=O)N(C5=O)CC6=NC7=CC=CC=C7S6

InChI

InChI=1S/C32H37N5O3S/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/h4-6,9-12,22-23H,1-3,7-8,13-21H2