5-(4-methylsulfanylbutyl)-2-phenoxy-5,6,7,8-tetrahydroquinoline-3,4-diamine

Systemtic Name: 5-(4-methylsulfanylbutyl)-2-phenoxy-5,6,7,8-tetrahydroquinoline-3,4-diamine Openeye Name: 5-(4-methylsulfanylbutyl)-2-phenoxy-5,6,7,8-tetrahydroquinoline-3,4-diamine CAS Name: 5-[4-(methylthio)butyl]-2-phenoxy-5,6,7,8-tetrahydroquinoline-3,4-diamine IUPAC Name: 5-(4-methylsulfanylbutyl)-2-phenoxy-5,6,7,8-tetrahydroquinoline-3,4-diamine Traditional Name: [3-amino-5-[4-(methylthio)butyl]-2-phenoxy-5,6,7,8-tetrahydroquinolin-4-yl]amine Formula: C20H27N3OS MolecularWeight: 357.51288

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCC1CCCC2=NC(=C(C(=C12)N)N)OC3=CC=CC=C3

Isomeric SMILES

CSCCCCC1CCCC2=NC(=C(C(=C12)N)N)OC3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS/c1-25-13-6-5-8-14-9-7-12-16-17(14)18(21)19(22)20(23-16)24-15-10-3-2-4-11-15/h2-4,10-11,14H,5-9,12-13,22H2,1H3,(H2,21,23)