N-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-6-morpholino-9,10,10-trioxo-thioxanthene-1-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-6-(4-morpholinyl)-9,10,10-trioxo-1-thioxanthenecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-9,10,10-trioxothioxanthene-1-carboxamide Traditional Name: N-(4-fluorobenzyl)-9,10,10-triketo-6-morpholino-thioxanthene-1-carboxamide Formula: C25H21FN2O5S MolecularWeight: 480.508043

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC=C(C=C5)F

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN2O5S/c26-17-6-4-16(5-7-17)15-27-25(30)20-2-1-3-21-23(20)24(29)19-9-8-18(14-22(19)34(21,31)32)28-10-12-33-13-11-28/h1-9,14H,10-13,15H2,(H,27,30)