3-ethyl-5-ethylsulfanyl-6-(phenethylamino)-4-(propylamino)benzene-1,2-diol

Systemtic Name: 3-ethyl-5-ethylsulfanyl-6-(phenethylamino)-4-(propylamino)benzene-1,2-diol Openeye Name: 3-ethyl-5-ethylsulfanyl-6-(phenethylamino)-4-(propylamino)benzene-1,2-diol CAS Name: 3-ethyl-5-(ethylthio)-6-(phenethylamino)-4-(propylamino)benzene-1,2-diol IUPAC Name: 3-ethyl-5-ethylsulfanyl-6-(phenethylamino)-4-(propylamino)benzene-1,2-diol Traditional Name: 3-ethyl-5-(ethylthio)-6-(phenethylamino)-4-(propylamino)pyrocatechol Formula: C21H30N2O2S MolecularWeight: 374.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=C(C(=C1SCC)NCCC2=CC=CC=C2)O)O)CC

Isomeric SMILES

CCCNC1=C(C(=C(C(=C1SCC)NCCC2=CC=CC=C2)O)O)CC

InChI

InChI=1S/C21H30N2O2S/c1-4-13-22-17-16(5-2)19(24)20(25)18(21(17)26-6-3)23-14-12-15-10-8-7-9-11-15/h7-11,22-25H,4-6,12-14H2,1-3H3