1-[[1-(4-oxidanylhexan-3-ylamino)ethylamino]methyl]thioxanthen-9-one

Systemtic Name: 1-[[1-(4-oxidanylhexan-3-ylamino)ethylamino]methyl]thioxanthen-9-one Openeye Name: 1-[[1-[(1-ethyl-2-hydroxy-butyl)amino]ethylamino]methyl]thioxanthen-9-one CAS Name: 1-[[1-(4-hydroxyhexan-3-ylamino)ethylamino]methyl]-9-thioxanthenone IUPAC Name: 1-[[1-(4-hydroxyhexan-3-ylamino)ethylamino]methyl]thioxanthen-9-one Traditional Name: 1-[[1-[(1-ethyl-2-hydroxy-butyl)amino]ethylamino]methyl]thioxanthen-9-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)O)NC(C)NCC1=C2C(=CC=C1)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCC(C(CC)O)NC(C)NCC1=C2C(=CC=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H28N2O2S/c1-4-17(18(25)5-2)24-14(3)23-13-15-9-8-12-20-21(15)22(26)16-10-6-7-11-19(16)27-20/h6-12,14,17-18,23-25H,4-5,13H2,1-3H3