methyl 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-propan-2-ylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-isopropylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2-propan-2-yl-4-quinazolinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-propan-2-ylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-isopropylquinazolin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3S/c1-13(2)19-23-17-7-5-4-6-16(17)20(24-19)28-12-18(25)22-15-10-8-14(9-11-15)21(26)27-3/h4-11,13H,12H2,1-3H3,(H,22,25)