1-(2-dimethylaminoethylamino)-4-methyl-5-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2-dimethylaminoethylamino)-4-methyl-5-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-dimethylaminoethylamino)-5-hydroxy-4-methyl-thioxanthen-9-one CAS Name: 1-(2-dimethylaminoethylamino)-5-hydroxy-4-methyl-9-thioxanthenone IUPAC Name: 1-(2-dimethylaminoethylamino)-5-hydroxy-4-methylthioxanthen-9-one Traditional Name: 1-(2-dimethylaminoethylamino)-5-hydroxy-4-methyl-thioxanthen-9-one Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(S2)C(=CC=C3)O

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(S2)C(=CC=C3)O

InChI

InChI=1S/C18H20N2O2S/c1-11-7-8-13(19-9-10-20(2)3)15-16(22)12-5-4-6-14(21)18(12)23-17(11)15/h4-8,19,21H,9-10H2,1-3H3