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

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

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4)C(=O)N6CCSCC6

Isomeric SMILES

C1CC(CN(C1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CC5=CC=CC=C5S4)C(=O)N6CCSCC6

InChI

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