N-[(3-fluorophenyl)methyl]-6-morpholin-4-yl-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxamide

Systemtic Name: N-[(3-fluorophenyl)methyl]-6-morpholin-4-yl-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-6-morpholino-9,10,10-trioxo-thioxanthene-1-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-6-(4-morpholinyl)-9,10,10-trioxo-1-thioxanthenecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-6-morpholin-4-yl-9,10,10-trioxothioxanthene-1-carboxamide Traditional Name: N-(3-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(=CC=C5)F

Isomeric SMILES

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

InChI

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