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

Systemtic Name: N-[(3-fluorophenyl)methyl]-9,10,10-tris(oxidanylidene)-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide Openeye Name: N-[(3-fluorophenyl)methyl]-9,10,10-trioxo-6-pyrrolidin-1-yl-thioxanthene-1-carboxamide CAS Name: N-[(3-fluorophenyl)methyl]-9,10,10-trioxo-6-(1-pyrrolidinyl)-1-thioxanthenecarboxamide IUPAC Name: N-[(3-fluorophenyl)methyl]-9,10,10-trioxo-6-pyrrolidin-1-ylthioxanthene-1-carboxamide Traditional Name: N-(3-fluorobenzyl)-9,10,10-triketo-6-pyrrolidino-thioxanthene-1-carboxamide Formula: C25H21FN2O4S MolecularWeight: 464.508643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC(=CC=C5)F

Isomeric SMILES

C1CCN(C1)C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC(=CC=C5)F

InChI

InChI=1S/C25H21FN2O4S/c26-17-6-3-5-16(13-17)15-27-25(30)20-7-4-8-21-23(20)24(29)19-10-9-18(28-11-1-2-12-28)14-22(19)33(21,31)32/h3-10,13-14H,1-2,11-12,15H2,(H,27,30)