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

Systemtic Name: 1-butyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-keto-1H-quinazolin-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H21N5O3S2/c1-2-3-10-25-17-9-8-13(30(21,27)28)11-16(17)23-20(25)29-12-18-22-15-7-5-4-6-14(15)19(26)24-18/h4-9,11H,2-3,10,12H2,1H3,(H2,21,27,28)(H,22,24,26)