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

Systemtic Name: 1-butyl-2-[(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylmethyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(3-isopropyl-4-keto-quinazolin-2-yl)thio]methyl]benzimidazole-5-sulfonamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NC4=CC=CC=C4C(=O)N3C(C)C

InChI

InChI=1S/C23H27N5O3S2/c1-4-5-12-27-20-11-10-16(33(24,30)31)13-19(20)25-21(27)14-32-23-26-18-9-7-6-8-17(18)22(29)28(23)15(2)3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H2,24,30,31)