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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C25H21N3O4S2 MolecularWeight: 491.58194

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H21N3O4S2/c1-33-13-12-20(24-26-18-7-3-4-8-19(18)27-24)28-25(30)15-10-11-17-22(14-15)34(31,32)21-9-5-2-6-16(21)23(17)29/h2-11,14,20H,12-13H2,1H3,(H,26,27)(H,28,30)