butyl 4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C22H23N3O3S/c1-3-4-13-28-22(27)16-9-11-17(12-10-16)25-20(26)14-29-21-18-7-5-6-8-19(18)23-15(2)24-21/h5-12H,3-4,13-14H2,1-2H3,(H,25,26)