5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-cyclohexyl-isoindole-1,3-dione

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonyl-2-cyclohexyl-isoindole-1,3-dione Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-cyclohexyl-isoindoline-1,3-dione CAS Name: 5-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-cyclohexylisoindole-1,3-dione IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-cyclohexylisoindole-1,3-dione Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-cyclohexyl-isoindoline-1,3-quinone Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCC(CC4)C5=NC6=CC=CC=C6S5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N4CCC(CC4)C5=NC6=CC=CC=C6S5

InChI

InChI=1S/C27H27N3O3S/c31-25(29-14-12-17(13-15-29)24-28-22-8-4-5-9-23(22)34-24)18-10-11-20-21(16-18)27(33)30(26(20)32)19-6-2-1-3-7-19/h4-5,8-11,16-17,19H,1-3,6-7,12-15H2