N,N-dimethyl-2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[[4-(methylamino)-2-quinazolinyl]thio]methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[[4-(methylamino)quinazolin-2-yl]sulfanylmethyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[[[4-(methylamino)quinazolin-2-yl]thio]methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C22H26N6O2S2 MolecularWeight: 470.61084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC4=CC=CC=C4C(=N3)NC

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=NC4=CC=CC=C4C(=N3)NC

InChI

InChI=1S/C22H26N6O2S2/c1-5-12-28-19-11-10-15(32(29,30)27(3)4)13-18(19)24-20(28)14-31-22-25-17-9-7-6-8-16(17)21(23-2)26-22/h6-11,13H,5,12,14H2,1-4H3,(H,23,25,26)