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

Systemtic Name: 2-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C17H17N5O3S3 MolecularWeight: 435.54358

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C17H17N5O3S3/c1-2-6-22-13-4-3-10(28(18,24)25)8-12(13)20-17(22)27-9-14-19-11-5-7-26-15(11)16(23)21-14/h3-5,7-8H,2,6,9H2,1H3,(H2,18,24,25)(H,19,21,23)