2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-2-(phenylmethyl)-1-propan-2-yl-thioxanthen-9-one

Systemtic Name: 2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-2-(phenylmethyl)-1-propan-2-yl-thioxanthen-9-one Openeye Name: 2-benzyl-2-(dimethylamino)-1-isopropyl-1-(4-morpholinophenyl)thioxanthen-9-one CAS Name: 2-(dimethylamino)-1-[4-(4-morpholinyl)phenyl]-2-(phenylmethyl)-1-propan-2-yl-9-thioxanthenone IUPAC Name: 2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-1-propan-2-ylthioxanthen-9-one Traditional Name: 2-benzyl-2-(dimethylamino)-1-isopropyl-1-(4-morpholinophenyl)thioxanthen-9-one Formula: C35H38N2O2S MolecularWeight: 550.75342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C2=C(C=CC1(CC3=CC=CC=C3)N(C)C)SC4=CC=CC=C4C2=O)C5=CC=C(C=C5)N6CCOCC6

Isomeric SMILES

CC(C)C1(C2=C(C=CC1(CC3=CC=CC=C3)N(C)C)SC4=CC=CC=C4C2=O)C5=CC=C(C=C5)N6CCOCC6

InChI

InChI=1S/C35H38N2O2S/c1-25(2)35(27-14-16-28(17-15-27)37-20-22-39-23-21-37)32-31(40-30-13-9-8-12-29(30)33(32)38)18-19-34(35,36(3)4)24-26-10-6-5-7-11-26/h5-19,25H,20-24H2,1-4H3