4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-2-3-12-24-19(26)16-6-4-5-7-17(16)23-21(24)29-13-18(25)22-15-10-8-14(9-11-15)20(27)28/h4-11H,2-3,12-13H2,1H3,(H,22,25)(H,27,28)