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

Systemtic Name: 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)benzimidazol-2-yl]sulfanylmethyl]benzenecarboximidamide Openeye Name: 4-[[1-methyl-5-(8-quinolylsulfonylamino)benzimidazol-2-yl]sulfanylmethyl]benzamidine CAS Name: 4-[[[1-methyl-5-(8-quinolinylsulfonylamino)-2-benzimidazolyl]thio]methyl]benzenecarboximidamide IUPAC Name: 4-[[1-methyl-5-(quinolin-8-ylsulfonylamino)benzimidazol-2-yl]sulfanylmethyl]benzenecarboximidamide Traditional Name: 4-[[[1-methyl-5-(8-quinolylsulfonylamino)benzimidazol-2-yl]thio]methyl]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=C1SCC5=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=C1SCC5=CC=C(C=C5)C(=N)N

InChI

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