N-[(2-bromophenyl)methyl]-6-morpholin-4-yl-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxamide

Systemtic Name: N-[(2-bromophenyl)methyl]-6-morpholin-4-yl-9,10,10-tris(oxidanylidene)thioxanthene-1-carboxamide Openeye Name: N-[(2-bromophenyl)methyl]-6-morpholino-9,10,10-trioxo-thioxanthene-1-carboxamide CAS Name: N-[(2-bromophenyl)methyl]-6-(4-morpholinyl)-9,10,10-trioxo-1-thioxanthenecarboxamide IUPAC Name: N-[(2-bromophenyl)methyl]-6-morpholin-4-yl-9,10,10-trioxothioxanthene-1-carboxamide Traditional Name: N-(2-bromobenzyl)-9,10,10-triketo-6-morpholino-thioxanthene-1-carboxamide Formula: C25H21BrN2O5S MolecularWeight: 541.41364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC=CC=C5Br

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)C(=O)C4=C(C=CC=C4S3(=O)=O)C(=O)NCC5=CC=CC=C5Br

InChI

InChI=1S/C25H21BrN2O5S/c26-20-6-2-1-4-16(20)15-27-25(30)19-5-3-7-21-23(19)24(29)18-9-8-17(14-22(18)34(21,31)32)28-10-12-33-13-11-28/h1-9,14H,10-13,15H2,(H,27,30)