1-(2-diethylaminoethylamino)-4-(methylaminomethyl)-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(methylaminomethyl)-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-(methylaminomethyl)thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-(methylaminomethyl)-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-(methylaminomethyl)thioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-7-hydroxy-4-(methylaminomethyl)thioxanthen-9-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC)SC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC)SC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C21H27N3O2S/c1-4-24(5-2)11-10-23-17-8-6-14(13-22-3)21-19(17)20(26)16-12-15(25)7-9-18(16)27-21/h6-9,12,22-23,25H,4-5,10-11,13H2,1-3H3