1-[4-[4-[2-(4-fluorophenyl)ethylamino]butyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide

Systemtic Name: 1-[4-[4-[2-(4-fluorophenyl)ethylamino]butyl]phenyl]-9-oxidanylidene-thioxanthene-4-carboxamide Openeye Name: 1-[4-[4-[2-(4-fluorophenyl)ethylamino]butyl]phenyl]-9-oxo-thioxanthene-4-carboxamide CAS Name: 1-[4-[4-[2-(4-fluorophenyl)ethylamino]butyl]phenyl]-9-oxo-4-thioxanthenecarboxamide IUPAC Name: 1-[4-[4-[2-(4-fluorophenyl)ethylamino]butyl]phenyl]-9-oxothioxanthene-4-carboxamide Traditional Name: 1-[4-[4-[2-(4-fluorophenyl)ethylamino]butyl]phenyl]-9-keto-thioxanthene-4-carboxamide Formula: C32H29FN2O2S MolecularWeight: 524.648263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)C(=O)N)C4=CC=C(C=C4)CCCCNCCC5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3S2)C(=O)N)C4=CC=C(C=C4)CCCCNCCC5=CC=C(C=C5)F

InChI

InChI=1S/C32H29FN2O2S/c33-24-14-10-22(11-15-24)18-20-35-19-4-3-5-21-8-12-23(13-9-21)25-16-17-27(32(34)37)31-29(25)30(36)26-6-1-2-7-28(26)38-31/h1-2,6-17,35H,3-5,18-20H2,(H2,34,37)