2-[[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline

Systemtic Name: 2-[[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline Openeye Name: 2-[[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline CAS Name: 2-[[4-[4-(2,2-dimethylpropyl)-1-piperazinyl]phenyl]methylthio]-7-(methylthio)quinoline IUPAC Name: 2-[[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]methylsulfanyl]-7-methylsulfanylquinoline Traditional Name: 7-(methylthio)-2-[[4-(4-neopentylpiperazino)benzyl]thio]quinoline Formula: C26H33N3S2 MolecularWeight: 451.69032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCN(CC1)C2=CC=C(C=C2)CSC3=NC4=C(C=CC(=C4)SC)C=C3

Isomeric SMILES

CC(C)(C)CN1CCN(CC1)C2=CC=C(C=C2)CSC3=NC4=C(C=CC(=C4)SC)C=C3

InChI

InChI=1S/C26H33N3S2/c1-26(2,3)19-28-13-15-29(16-14-28)22-9-5-20(6-10-22)18-31-25-12-8-21-7-11-23(30-4)17-24(21)27-25/h5-12,17H,13-16,18-19H2,1-4H3