2-[[8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-methyl-amino]ethanol

Systemtic Name: 2-[[8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-methyl-amino]ethanol Openeye Name: 2-[[8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-methyl-amino]ethanol CAS Name: 2-[[8-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-methylamino]ethanol IUPAC Name: 2-[[8-(1H-benzimidazol-2-ylsulfanylmethyl)-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-methylamino]ethanol Traditional Name: 2-[[8-[(1H-benzimidazol-2-ylthio)methyl]-1-ethyl-3,4-dihydro-2H-quinolin-4-yl]-methyl-amino]ethanol Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C2=C1C(=CC=C2)CSC3=NC4=CC=CC=C4N3)N(C)CCO

Isomeric SMILES

CCN1CCC(C2=C1C(=CC=C2)CSC3=NC4=CC=CC=C4N3)N(C)CCO

InChI

InChI=1S/C22H28N4OS/c1-3-26-12-11-20(25(2)13-14-27)17-8-6-7-16(21(17)26)15-28-22-23-18-9-4-5-10-19(18)24-22/h4-10,20,27H,3,11-15H2,1-2H3,(H,23,24)