4-[[4-(4-methylpiperazin-1-yl)phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline

Systemtic Name: 4-[[4-(4-methylpiperazin-1-yl)phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline Openeye Name: 4-[[4-(4-methylpiperazin-1-yl)phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline CAS Name: 4-[[4-(4-methyl-1-piperazinyl)phenyl]methylthio]-7-(methylthio)quinoline IUPAC Name: 4-[[4-(4-methylpiperazin-1-yl)phenyl]methylsulfanyl]-7-methylsulfanylquinoline Traditional Name: 4-[[4-(4-methylpiperazino)benzyl]thio]-7-(methylthio)quinoline Formula: C22H25N3S2 MolecularWeight: 395.584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)CSC3=C4C=CC(=CC4=NC=C3)SC

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)CSC3=C4C=CC(=CC4=NC=C3)SC

InChI

InChI=1S/C22H25N3S2/c1-24-11-13-25(14-12-24)18-5-3-17(4-6-18)16-27-22-9-10-23-21-15-19(26-2)7-8-20(21)22/h3-10,15H,11-14,16H2,1-2H3