1-butyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(4-quinazolinylthio)methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-(quinazolin-4-ylsulfanylmethyl)benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(quinazolin-4-ylthio)methyl]benzimidazole-5-sulfonamide Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O2S2/c1-2-3-10-25-18-9-8-14(29(21,26)27)11-17(18)24-19(25)12-28-20-15-6-4-5-7-16(15)22-13-23-20/h4-9,11,13H,2-3,10,12H2,1H3,(H2,21,26,27)