1-[3-(diethylamino)propylamino]-4-methyl-2-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-[3-(diethylamino)propylamino]-4-methyl-2-oxidanyl-thioxanthen-9-one Openeye Name: 1-[3-(diethylamino)propylamino]-2-hydroxy-4-methyl-thioxanthen-9-one CAS Name: 1-[3-(diethylamino)propylamino]-2-hydroxy-4-methyl-9-thioxanthenone IUPAC Name: 1-[3-(diethylamino)propylamino]-2-hydroxy-4-methylthioxanthen-9-one Traditional Name: 1-[3-(diethylamino)propylamino]-2-hydroxy-4-methyl-thioxanthen-9-one Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)O

Isomeric SMILES

CCN(CC)CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)O

InChI

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