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

Systemtic Name: N,N,1-triethyl-2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: N,N,1-triethyl-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: N,N,1-triethyl-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: N,N,1-triethyl-2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]benzimidazole-5-sulfonamide Formula: C20H23N5O3S3 MolecularWeight: 477.62332

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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=C(N3)C=CS4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H23N5O3S3/c1-4-24(5-2)31(27,28)13-7-8-16-15(11-13)22-20(25(16)6-3)30-12-17-21-14-9-10-29-18(14)19(26)23-17/h7-11H,4-6,12H2,1-3H3,(H,21,23,26)