1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; methylcarbamic acid

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; methylcarbamic acid Openeye Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; methylcarbamic acid CAS Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)-9-thioxanthenone; methylcarbamic acid IUPAC Name: 1-(2-diethylaminoethylamino)-4-(hydroxymethyl)thioxanthen-9-one; methylcarbamic acid Traditional Name: 1-(2-diethylaminoethylamino)-4-methylol-thioxanthen-9-one; methylcarbamic acid Formula: C22H29N3O4S MolecularWeight: 431.54836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2S.C2H5NO2/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20;1-3-2(4)5/h5-10,21,23H,3-4,11-13H2,1-2H3;3H,1H3,(H,4,5)