2-(1-benzothiophen-2-ylmethyl)-4-(4-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-(1-benzothiophen-2-ylmethyl)-4-(4-thiomorpholin-4-ylcarbonylpiperidin-1-yl)isoindole-1,3-dione Openeye Name: 2-(benzothiophen-2-ylmethyl)-4-[4-(thiomorpholine-4-carbonyl)-1-piperidyl]isoindoline-1,3-dione CAS Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-[oxo(thiomorpholin-4-yl)methyl]-1-piperidinyl]isoindole-1,3-dione IUPAC Name: 2-(1-benzothiophen-2-ylmethyl)-4-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]isoindole-1,3-dione Traditional Name: 2-(benzothiophen-2-ylmethyl)-4-[4-(thiomorpholine-4-carbonyl)piperidino]isoindoline-1,3-quinone Formula: C27H27N3O3S2 MolecularWeight: 505.65158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCSCC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

Isomeric SMILES

C1CN(CCC1C(=O)N2CCSCC2)C3=CC=CC4=C3C(=O)N(C4=O)CC5=CC6=CC=CC=C6S5

InChI

InChI=1S/C27H27N3O3S2/c31-25(29-12-14-34-15-13-29)18-8-10-28(11-9-18)22-6-3-5-21-24(22)27(33)30(26(21)32)17-20-16-19-4-1-2-7-23(19)35-20/h1-7,16,18H,8-15,17H2