N-[2-(azepan-1-yl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C26H24N2O4S MolecularWeight: 460.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H24N2O4S/c29-25-19-9-3-6-12-23(19)33(31,32)24-17-18(13-14-20(24)25)26(30)27-21-10-4-5-11-22(21)28-15-7-1-2-8-16-28/h3-6,9-14,17H,1-2,7-8,15-16H2,(H,27,30)