N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H16ClNO5S MolecularWeight: 441.88414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H16ClNO5S/c1-12-9-17(18(29-2)11-16(12)23)24-22(26)13-7-8-15-20(10-13)30(27,28)19-6-4-3-5-14(19)21(15)25/h3-11H,1-2H3,(H,24,26)