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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

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