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

Systemtic Name: 2-[2-[3-[3-(diethylamino)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 2-[[2-[3-[3-(diethylamino)propyl]-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoic acid CAS Name: 2-[[2-[[3-[3-(diethylamino)propyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-[[2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 2-[[2-[[3-[3-(diethylamino)propyl]-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CCN(CC)CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C24H28N4O4S/c1-3-27(4-2)14-9-15-28-22(30)17-10-5-7-12-19(17)26-24(28)33-16-21(29)25-20-13-8-6-11-18(20)23(31)32/h5-8,10-13H,3-4,9,14-16H2,1-2H3,(H,25,29)(H,31,32)