butyl 4-[2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)C)C(=O)N2C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=C(C=C3)C)C(=O)N2C

InChI

InChI=1S/C23H25N3O4S/c1-4-5-12-30-22(29)16-7-9-17(10-8-16)24-20(27)14-31-23-25-19-11-6-15(2)13-18(19)21(28)26(23)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,24,27)