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

Systemtic Name: 9,10,10-tris(oxidanylidene)-6-[(E)-2-phenylethenyl]-N-(phenylmethyl)thioxanthene-1-carboxamide Openeye Name: N-benzyl-9,10,10-trioxo-6-[(E)-styryl]thioxanthene-1-carboxamide CAS Name: 9,10,10-trioxo-6-[(E)-2-phenylethenyl]-N-(phenylmethyl)-1-thioxanthenecarboxamide IUPAC Name: N-benzyl-9,10,10-trioxo-6-[(E)-2-phenylethenyl]thioxanthene-1-carboxamide Traditional Name: N-benzyl-9,10,10-triketo-6-[(E)-styryl]thioxanthene-1-carboxamide Formula: C29H21NO4S MolecularWeight: 479.54634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H21NO4S/c31-28-23-17-16-21(15-14-20-8-3-1-4-9-20)18-26(23)35(33,34)25-13-7-12-24(27(25)28)29(32)30-19-22-10-5-2-6-11-22/h1-18H,19H2,(H,30,32)/b15-14+