7-bromanyl-1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one

Systemtic Name: 7-bromanyl-1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one Openeye Name: 7-bromo-1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one CAS Name: 7-bromo-1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-9-thioxanthenone IUPAC Name: 7-bromo-1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one Traditional Name: 7-bromo-1-(2-diethylaminoethylamino)-4-methylol-thioxanthen-9-one Formula: C20H23BrN2O2S MolecularWeight: 435.37782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O2S/c1-3-23(4-2)10-9-22-16-7-5-13(12-24)20-18(16)19(25)15-11-14(21)6-8-17(15)26-20/h5-8,11,22,24H,3-4,9-10,12H2,1-2H3