4-[2-[2-[3-(phenethylamino)propylsulfanyl]ethylamino]ethyl]benzene-1,2-diol

Systemtic Name: 4-[2-[2-[3-(phenethylamino)propylsulfanyl]ethylamino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[2-[3-(phenethylamino)propylsulfanyl]ethylamino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[2-[3-(phenethylamino)propylthio]ethylamino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[2-[3-(phenethylamino)propylsulfanyl]ethylamino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[2-[3-(phenethylamino)propylthio]ethylamino]ethyl]pyrocatechol Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCCCSCCNCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCCCSCCNCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C21H30N2O2S/c24-20-8-7-19(17-21(20)25)10-13-23-14-16-26-15-4-11-22-12-9-18-5-2-1-3-6-18/h1-3,5-8,17,22-25H,4,9-16H2