3-[4-[4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]butyl]piperazin-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]butyl]piperazin-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]butyl]piperazin-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]butyl]-1-piperazinyl]-1,2-benzothiazole IUPAC Name: 3-[4-[4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]butyl]piperazin-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[4-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]butyl]piperazino]-1,2-benzothiazole Formula: C23H34N4S MolecularWeight: 398.60786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CC2C1)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CC[C@H]2CN(C[C@H]2C1)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H34N4S/c1-2-8-20-18-26(17-19(20)7-1)12-6-5-11-25-13-15-27(16-14-25)23-21-9-3-4-10-22(21)28-24-23/h3-4,9-10,19-20H,1-2,5-8,11-18H2/t19-,20+