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

Systemtic Name: 4-[[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline Openeye Name: 4-[[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]methylsulfanyl]-7-methylsulfanyl-quinoline CAS Name: 4-[[4-[4-(2,2-dimethylpropyl)-1-piperazinyl]phenyl]methylthio]-7-(methylthio)quinoline IUPAC Name: 4-[[4-[4-(2,2-dimethylpropyl)piperazin-1-yl]phenyl]methylsulfanyl]-7-methylsulfanylquinoline Traditional Name: 7-(methylthio)-4-[[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=C4C=CC(=CC4=NC=C3)SC

Isomeric SMILES

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

InChI

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