methyl 4-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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