2-isoquinolin-1-ylsulfanyl-1,3-bis(4-methylpiperazin-1-yl)propane-1,3-dione

Systemtic Name: 2-isoquinolin-1-ylsulfanyl-1,3-bis(4-methylpiperazin-1-yl)propane-1,3-dione Openeye Name: 2-(1-isoquinolylsulfanyl)-1,3-bis(4-methylpiperazin-1-yl)propane-1,3-dione CAS Name: 2-(1-isoquinolinylthio)-1,3-bis(4-methyl-1-piperazinyl)propane-1,3-dione IUPAC Name: 2-isoquinolin-1-ylsulfanyl-1,3-bis(4-methylpiperazin-1-yl)propane-1,3-dione Traditional Name: 2-(1-isoquinolylthio)-1,3-bis(4-methylpiperazino)propane-1,3-dione Formula: C22H29N5O2S MolecularWeight: 427.56296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C(C(=O)N2CCN(CC2)C)SC3=NC=CC4=CC=CC=C43

Isomeric SMILES

CN1CCN(CC1)C(=O)C(C(=O)N2CCN(CC2)C)SC3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C22H29N5O2S/c1-24-9-13-26(14-10-24)21(28)19(22(29)27-15-11-25(2)12-16-27)30-20-18-6-4-3-5-17(18)7-8-23-20/h3-8,19H,9-16H2,1-2H3