N-[(1,5-dimethylpyrrol-2-yl)methyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[(1,5-dimethyl-2-pyrrolyl)methyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[(1,5-dimethylpyrrol-2-yl)methyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=CC=C(N1C)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H18N2O4S/c1-13-7-9-15(23(13)2)12-22-21(25)14-8-10-17-19(11-14)28(26,27)18-6-4-3-5-16(18)20(17)24/h3-11H,12H2,1-2H3,(H,22,25)