N4-[5,8-dimethoxy-2-[(phenylmethylsulfanyl)methyl]quinolin-6-yl]-N1,N1-diethyl-pentane-1,4-diamine

Systemtic Name: N4-[5,8-dimethoxy-2-[(phenylmethylsulfanyl)methyl]quinolin-6-yl]-N1,N1-diethyl-pentane-1,4-diamine Openeye Name: N4-[2-(benzylsulfanylmethyl)-5,8-dimethoxy-6-quinolyl]-N1,N1-diethyl-pentane-1,4-diamine CAS Name: N4-[5,8-dimethoxy-2-[(phenylmethylthio)methyl]-6-quinolinyl]-N1,N1-diethylpentane-1,4-diamine IUPAC Name: 4-N-[2-(benzylsulfanylmethyl)-5,8-dimethoxyquinolin-6-yl]-1-N,1-N-diethylpentane-1,4-diamine Traditional Name: 4-[[2-[(benzylthio)methyl]-5,8-dimethoxy-6-quinolyl]amino]pentyl-diethyl-amine Formula: C28H39N3O2S MolecularWeight: 481.69316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=CC(=N2)CSCC3=CC=CC=C3)OC

Isomeric SMILES

CCN(CC)CCCC(C)NC1=CC(=C2C(=C1OC)C=CC(=N2)CSCC3=CC=CC=C3)OC

InChI

InChI=1S/C28H39N3O2S/c1-6-31(7-2)17-11-12-21(3)29-25-18-26(32-4)27-24(28(25)33-5)16-15-23(30-27)20-34-19-22-13-9-8-10-14-22/h8-10,13-16,18,21,29H,6-7,11-12,17,19-20H2,1-5H3