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

Systemtic Name: methyl 4-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-14(2)12-25-20(27)17-6-4-5-7-18(17)24-22(25)30-13-19(26)23-16-10-8-15(9-11-16)21(28)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,26)