1-butyl-2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C24H29N5O3S2 MolecularWeight: 499.64876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCC

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCC

InChI

InChI=1S/C24H29N5O3S2/c1-3-5-13-28-21-12-11-17(34(25,31)32)15-20(21)26-22(28)16-33-24-27-19-10-8-7-9-18(19)23(30)29(24)14-6-4-2/h7-12,15H,3-6,13-14,16H2,1-2H3,(H2,25,31,32)