1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; methanesulfonic acid

Systemtic Name: 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; methanesulfonic acid Openeye Name: 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; methanesulfonic acid CAS Name: 1-(2-diethylaminoethylamino)-4-methyl-9-thioxanthenone; methanesulfonic acid IUPAC Name: 1-(2-diethylaminoethylamino)-4-methylthioxanthen-9-one; methanesulfonic acid Traditional Name: 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; mesylic acid Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2OS.CH4O3S/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20;1-5(2,3)4/h6-11,21H,4-5,12-13H2,1-3H3;1H3,(H,2,3,4)