4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)benzimidazol-2-yl]methylsulfanyl]benzenecarboximidamide

Systemtic Name: 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)benzimidazol-2-yl]methylsulfanyl]benzenecarboximidamide Openeye Name: 4-[[1-methyl-5-(8-quinolylsulfonylamino)benzimidazol-2-yl]methylsulfanyl]benzamidine CAS Name: 4-[[1-methyl-5-(8-quinolinylsulfonylamino)-2-benzimidazolyl]methylthio]benzenecarboximidamide IUPAC Name: 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)benzimidazol-2-yl]methylsulfanyl]benzenecarboximidamide Traditional Name: 4-[[1-methyl-5-(8-quinolylsulfonylamino)benzimidazol-2-yl]methylthio]benzamidine Formula: C25H22N6O2S2 MolecularWeight: 502.61118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CSC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CSC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C25H22N6O2S2/c1-31-21-12-9-18(30-35(32,33)22-6-2-4-16-5-3-13-28-24(16)22)14-20(21)29-23(31)15-34-19-10-7-17(8-11-19)25(26)27/h2-14,30H,15H2,1H3,(H3,26,27)