N-cyclopentyl-9,10,10-tris(oxidanylidene)-6-[(E)-2-phenylethenyl]thioxanthene-1-carboxamide

Systemtic Name: N-cyclopentyl-9,10,10-tris(oxidanylidene)-6-[(E)-2-phenylethenyl]thioxanthene-1-carboxamide Openeye Name: N-cyclopentyl-9,10,10-trioxo-6-[(E)-styryl]thioxanthene-1-carboxamide CAS Name: N-cyclopentyl-9,10,10-trioxo-6-[(E)-2-phenylethenyl]-1-thioxanthenecarboxamide IUPAC Name: N-cyclopentyl-9,10,10-trioxo-6-[(E)-2-phenylethenyl]thioxanthene-1-carboxamide Traditional Name: N-cyclopentyl-9,10,10-triketo-6-[(E)-styryl]thioxanthene-1-carboxamide Formula: C27H23NO4S MolecularWeight: 457.54082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)C=CC5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=C3C(=CC=C2)S(=O)(=O)C4=C(C3=O)C=CC(=C4)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C27H23NO4S/c29-26-21-16-15-19(14-13-18-7-2-1-3-8-18)17-24(21)33(31,32)23-12-6-11-22(25(23)26)27(30)28-20-9-4-5-10-20/h1-3,6-8,11-17,20H,4-5,9-10H2,(H,28,30)/b14-13+