9,10,10-tris(oxidanylidene)-N-[(1-phenylcyclopentyl)methyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(1-phenylcyclopentyl)methyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[(1-phenylcyclopentyl)methyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[(1-phenylcyclopentyl)methyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(1-phenylcyclopentyl)methyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[(1-phenylcyclopentyl)methyl]thioxanthene-3-carboxamide Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23NO4S/c28-24-20-10-4-5-11-22(20)32(30,31)23-16-18(12-13-21(23)24)25(29)27-17-26(14-6-7-15-26)19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2,(H,27,29)