N-[4-(1H-benzimidazol-2-yl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C27H17N3O4S MolecularWeight: 479.50658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H17N3O4S/c31-25-19-5-1-4-8-23(19)35(33,34)24-15-17(11-14-20(24)25)27(32)28-18-12-9-16(10-13-18)26-29-21-6-2-3-7-22(21)30-26/h1-15H,(H,28,32)(H,29,30)