1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid Openeye Name: 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid CAS Name: 1-(2-diethylaminoethylamino)-4-methyl-9-thioxanthenone; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid IUPAC Name: 1-(2-diethylaminoethylamino)-4-methylthioxanthen-9-one; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid Traditional Name: 1-(2-diethylaminoethylamino)-4-methyl-thioxanthen-9-one; 4-hydroxy-5-isopropyl-2-methyl-besylic acid Formula: C30H38N2O5S2 MolecularWeight: 570.76312

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O

InChI

InChI=1S/C20H24N2OS.C10H14O4S/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;1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11/h6-11,21H,4-5,12-13H2,1-3H3;4-6,11H,1-3H3,(H,12,13,14)