N,N,1-triethyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: N,N,1-triethyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H25N5O3S2/c1-4-26(5-2)32(29,30)15-11-12-19-18(13-15)24-22(27(19)6-3)31-14-20-23-17-10-8-7-9-16(17)21(28)25-20/h7-13H,4-6,14H2,1-3H3,(H,23,25,28)