9,10,10-tris(oxidanylidene)-N-phenethyl-thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-phenethyl-thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-phenethyl-thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-phenethyl-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-phenethylthioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-phenethyl-thioxanthene-3-carboxamide Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H17NO4S/c24-21-17-8-4-5-9-19(17)28(26,27)20-14-16(10-11-18(20)21)22(25)23-13-12-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,23,25)