2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-(4-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione Openeye Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(thiomorpholine-4-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-[4-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[4-(thiomorpholine-4-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCSCC5)C

Isomeric SMILES

CC1=NN(C=C1CN2C(=O)C3=C(C2=O)C(=CC=C3)N4CCC(CC4)C(=O)N5CCSCC5)C

InChI

InChI=1S/C24H29N5O3S/c1-16-18(14-26(2)25-16)15-29-23(31)19-4-3-5-20(21(19)24(29)32)27-8-6-17(7-9-27)22(30)28-10-12-33-13-11-28/h3-5,14,17H,6-13,15H2,1-2H3