1-butyl-2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C18H19N5O3S3 MolecularWeight: 449.57016

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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=C(N3)C=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C18H19N5O3S3/c1-2-3-7-23-14-5-4-11(29(19,25)26)9-13(14)21-18(23)28-10-15-20-12-6-8-27-16(12)17(24)22-15/h4-6,8-9H,2-3,7,10H2,1H3,(H2,19,25,26)(H,20,22,24)