4-[4-(2-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(2-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(2-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(2-adamantyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-ylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(2-adamantyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-adamantyl)piperazino]-2-(1,3-benzothiazol-2-ylmethyl)isoindoline-1,3-quinone Formula: C30H32N4O2S MolecularWeight: 512.66568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C5=CC=CC6=C5C(=O)N(C6=O)CC7=NC8=CC=CC=C8S7

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C5=CC=CC6=C5C(=O)N(C6=O)CC7=NC8=CC=CC=C8S7

InChI

InChI=1S/C30H32N4O2S/c35-29-22-4-3-6-24(27(22)30(36)34(29)17-26-31-23-5-1-2-7-25(23)37-26)32-8-10-33(11-9-32)28-20-13-18-12-19(15-20)16-21(28)14-18/h1-7,18-21,28H,8-17H2