1-butyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C19H25N5O3S2 MolecularWeight: 435.5635

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=O)C=C(N3)CCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC(=O)C=C(N3)CCC

InChI

InChI=1S/C19H25N5O3S2/c1-3-5-9-24-16-8-7-14(29(20,26)27)11-15(16)22-17(24)12-28-19-21-13(6-4-2)10-18(25)23-19/h7-8,10-11H,3-6,9,12H2,1-2H3,(H2,20,26,27)(H,21,23,25)