1-(2-diethylaminoethylamino)-4-(1-hydroxyethyl)thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(1-hydroxyethyl)thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-4-(1-hydroxyethyl)thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-4-(1-hydroxyethyl)-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-4-(1-hydroxyethyl)thioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-4-(1-hydroxyethyl)thioxanthen-9-one Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)C(C)O)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)C(C)O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H26N2O2S/c1-4-23(5-2)13-12-22-17-11-10-15(14(3)24)21-19(17)20(25)16-8-6-7-9-18(16)26-21/h6-11,14,22,24H,4-5,12-13H2,1-3H3