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

Systemtic Name: 6-chloranyl-9,10,10-tris(oxidanylidene)-N-phenethyl-thioxanthene-3-carboxamide Openeye Name: 6-chloro-9,10,10-trioxo-N-phenethyl-thioxanthene-3-carboxamide CAS Name: 6-chloro-9,10,10-trioxo-N-phenethyl-3-thioxanthenecarboxamide IUPAC Name: 6-chloro-9,10,10-trioxo-N-phenethylthioxanthene-3-carboxamide Traditional Name: 6-chloro-9,10,10-triketo-N-phenethyl-thioxanthene-3-carboxamide Formula: C22H16ClNO4S MolecularWeight: 425.88474

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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=C(S3(=O)=O)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)C(=O)C4=C(S3(=O)=O)C=C(C=C4)Cl

InChI

InChI=1S/C22H16ClNO4S/c23-16-7-9-18-20(13-16)29(27,28)19-12-15(6-8-17(19)21(18)25)22(26)24-11-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H,24,26)