2-azanyl-6-(4-isoquinolin-1-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)hexan-1-one

Systemtic Name: 2-azanyl-6-(4-isoquinolin-1-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)hexan-1-one Openeye Name: 2-amino-6-[4-(1-isoquinolyl)piperazin-1-yl]-1-thiazolidin-3-yl-hexan-1-one CAS Name: 2-amino-6-[4-(1-isoquinolinyl)-1-piperazinyl]-1-(3-thiazolidinyl)-1-hexanone IUPAC Name: 2-amino-6-(4-isoquinolin-1-ylpiperazin-1-yl)-1-(1,3-thiazolidin-3-yl)hexan-1-one Traditional Name: 2-amino-6-[4-(1-isoquinolyl)piperazino]-1-thiazolidin-3-yl-hexan-1-one Formula: C22H31N5OS MolecularWeight: 413.57944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CCCCC(C(=O)N2CCSC2)N)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C22H31N5OS/c23-20(22(28)27-15-16-29-17-27)7-3-4-10-25-11-13-26(14-12-25)21-19-6-2-1-5-18(19)8-9-24-21/h1-2,5-6,8-9,20H,3-4,7,10-17,23H2