2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylthio]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(8-methyl-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-keto-8-methyl-1H-quinazolin-2-yl)methylthio]-1-propyl-benzimidazole-5-sulfonamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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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(=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3S2/c1-3-9-25-16-8-7-13(30(21,27)28)10-15(16)22-20(25)29-11-17-23-18-12(2)5-4-6-14(18)19(26)24-17/h4-8,10H,3,9,11H2,1-2H3,(H2,21,27,28)(H,23,24,26)