3-[4-(4-isoquinolin-3-ylpiperazin-1-yl)butyl]-5,5-dimethyl-1,3-thiazolidin-4-one

Systemtic Name: 3-[4-(4-isoquinolin-3-ylpiperazin-1-yl)butyl]-5,5-dimethyl-1,3-thiazolidin-4-one Openeye Name: 3-[4-[4-(3-isoquinolyl)piperazin-1-yl]butyl]-5,5-dimethyl-thiazolidin-4-one CAS Name: 3-[4-[4-(3-isoquinolinyl)-1-piperazinyl]butyl]-5,5-dimethyl-4-thiazolidinone IUPAC Name: 3-[4-(4-isoquinolin-3-ylpiperazin-1-yl)butyl]-5,5-dimethyl-1,3-thiazolidin-4-one Traditional Name: 3-[4-[4-(3-isoquinolyl)piperazino]butyl]-5,5-dimethyl-thiazolidin-4-one Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CS1)CCCCN2CCN(CC2)C3=CC4=CC=CC=C4C=N3)C

Isomeric SMILES

CC1(C(=O)N(CS1)CCCCN2CCN(CC2)C3=CC4=CC=CC=C4C=N3)C

InChI

InChI=1S/C22H30N4OS/c1-22(2)21(27)26(17-28-22)10-6-5-9-24-11-13-25(14-12-24)20-15-18-7-3-4-8-19(18)16-23-20/h3-4,7-8,15-16H,5-6,9-14,17H2,1-2H3