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

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(1-phenylcyclopropyl)methyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[(1-phenylcyclopropyl)methyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[(1-phenylcyclopropyl)methyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(1-phenylcyclopropyl)methyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[(1-phenylcyclopropyl)methyl]thioxanthene-3-carboxamide Formula: C24H19NO4S MolecularWeight: 417.47696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=C5

InChI

InChI=1S/C24H19NO4S/c26-22-18-8-4-5-9-20(18)30(28,29)21-14-16(10-11-19(21)22)23(27)25-15-24(12-13-24)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,25,27)