2-(2-methyl-1,3-benzothiazol-5-yl)-4-(3-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-(3-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione Openeye Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[3-(thiomorpholine-4-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[3-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[3-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(2-methyl-1,3-benzothiazol-5-yl)-4-[3-(thiomorpholine-4-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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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)N5CCCC(C5)C(=O)N6CCSCC6

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)N5CCCC(C5)C(=O)N6CCSCC6

InChI

InChI=1S/C26H26N4O3S2/c1-16-27-20-14-18(7-8-22(20)35-16)30-25(32)19-5-2-6-21(23(19)26(30)33)29-9-3-4-17(15-29)24(31)28-10-12-34-13-11-28/h2,5-8,14,17H,3-4,9-13,15H2,1H3