6-chloranyl-4-methyl-1-(2-morpholin-4-ylethylamino)thioxanthen-9-one; methanesulfonic acid

Systemtic Name: 6-chloranyl-4-methyl-1-(2-morpholin-4-ylethylamino)thioxanthen-9-one; methanesulfonic acid Openeye Name: 6-chloro-4-methyl-1-(2-morpholinoethylamino)thioxanthen-9-one; methanesulfonic acid CAS Name: 6-chloro-4-methyl-1-[2-(4-morpholinyl)ethylamino]-9-thioxanthenone; methanesulfonic acid IUPAC Name: 6-chloro-4-methyl-1-(2-morpholin-4-ylethylamino)thioxanthen-9-one; methanesulfonic acid Traditional Name: 6-chloro-4-methyl-1-(2-morpholinoethylamino)thioxanthen-9-one; mesylic acid Formula: C21H25ClN2O5S2 MolecularWeight: 485.0166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCN3CCOCC3)C(=O)C4=C(S2)C=C(C=C4)Cl.CS(=O)(=O)O

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCN3CCOCC3)C(=O)C4=C(S2)C=C(C=C4)Cl.CS(=O)(=O)O

InChI

InChI=1S/C20H21ClN2O2S.CH4O3S/c1-13-2-5-16(22-6-7-23-8-10-25-11-9-23)18-19(24)15-4-3-14(21)12-17(15)26-20(13)18;1-5(2,3)4/h2-5,12,22H,6-11H2,1H3;1H3,(H,2,3,4)