1-ethyl-2-[(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-ethyl-2-[(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid Openeye Name: 1-ethyl-2-[(4-oxo-3-propyl-quinazolin-2-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid CAS Name: 1-ethyl-2-[[(4-oxo-3-propyl-2-quinazolinyl)thio]methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-ethyl-2-[(4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]benzimidazole-5-carboxylic acid Traditional Name: 1-ethyl-2-[[(4-keto-3-propyl-quinazolin-2-yl)thio]methyl]benzimidazole-5-carboxylic acid Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(N3CC)C=CC(=C4)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC4=C(N3CC)C=CC(=C4)C(=O)O

InChI

InChI=1S/C22H22N4O3S/c1-3-11-26-20(27)15-7-5-6-8-16(15)24-22(26)30-13-19-23-17-12-14(21(28)29)9-10-18(17)25(19)4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,28,29)