2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-1-butyl-benzimidazole-5-sulfonamide Formula: C22H26N8O2S2 MolecularWeight: 498.62424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

InChI

InChI=1S/C22H26N8O2S2/c1-3-4-11-30-18-10-9-15(34(24,31)32)12-17(18)26-22(30)33-13-19-27-20(23)29-21(28-19)25-16-8-6-5-7-14(16)2/h5-10,12H,3-4,11,13H2,1-2H3,(H2,24,31,32)(H3,23,25,27,28,29)