5-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]ethylamino]pentan-1-ol

Systemtic Name: 5-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]ethylamino]pentan-1-ol Openeye Name: 5-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]ethylamino]pentan-1-ol CAS Name: 5-[2-[[2-[[2-(hydroxymethyl)phenyl]thio]phenyl]methylamino]ethylamino]-1-pentanol IUPAC Name: 5-[2-[[2-[2-(hydroxymethyl)phenyl]sulfanylphenyl]methylamino]ethylamino]pentan-1-ol Traditional Name: 5-[2-[[2-[(2-methylolphenyl)thio]benzyl]amino]ethylamino]pentan-1-ol Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCCNCCCCCO)SC2=CC=CC=C2CO

Isomeric SMILES

C1=CC=C(C(=C1)CNCCNCCCCCO)SC2=CC=CC=C2CO

InChI

InChI=1S/C21H30N2O2S/c24-15-7-1-6-12-22-13-14-23-16-18-8-2-4-10-20(18)26-21-11-5-3-9-19(21)17-25/h2-5,8-11,22-25H,1,6-7,12-17H2