N-butyl-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide

Systemtic Name: N-butyl-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Openeye Name: N-butyl-2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide CAS Name: N-butyl-2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3H-benzimidazole-5-sulfonamide IUPAC Name: N-butyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3H-benzimidazole-5-sulfonamide Traditional Name: N-butyl-2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-3H-benzimidazole-5-sulfonamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)N4C=C(C=CC4=N3)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)SCC3=CC(=O)N4C=C(C=CC4=N3)C

InChI

InChI=1S/C21H23N5O3S2/c1-3-4-9-22-31(28,29)16-6-7-17-18(11-16)25-21(24-17)30-13-15-10-20(27)26-12-14(2)5-8-19(26)23-15/h5-8,10-12,22H,3-4,9,13H2,1-2H3,(H,24,25)