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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C29H21N3O4S MolecularWeight: 507.55974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC5=C(C=C4)C(=O)C6=CC=CC=C6S5(=O)=O

InChI

InChI=1S/C29H21N3O4S/c33-27-20-10-4-7-13-25(20)37(35,36)26-17-19(14-15-21(26)27)29(34)32-24(16-18-8-2-1-3-9-18)28-30-22-11-5-6-12-23(22)31-28/h1-15,17,24H,16H2,(H,30,31)(H,32,34)