1-[2-[ethyl-(2-methyl-2-oxidanyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride

Systemtic Name: 1-[2-[ethyl-(2-methyl-2-oxidanyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride Openeye Name: 1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride CAS Name: 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methyl-9-thioxanthenone chloride IUPAC Name: 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one chloride Traditional Name: 1-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one chloride Formula: C22H28ClN2O2S- MolecularWeight: 419.98792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)(C)O.[Cl-]

Isomeric SMILES

CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)(C)O.[Cl-]

InChI

InChI=1S/C22H28N2O2S.ClH/c1-5-24(14-22(3,4)26)13-12-23-17-11-10-15(2)21-19(17)20(25)16-8-6-7-9-18(16)27-21;/h6-11,23,26H,5,12-14H2,1-4H3;1H/p-1