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

Systemtic Name: methyl 3-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-butyl-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:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4S/c1-3-4-12-25-20(27)17-10-5-6-11-18(17)24-22(25)30-14-19(26)23-16-9-7-8-15(13-16)21(28)29-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,26)