methyl 4-[[2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(7-chloranyl-4-oxidanylidene-3-pentyl-quinazolin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(7-chloro-4-oxo-3-pentyl-quinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(7-chloro-4-oxo-3-pentyl-2-quinazolinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-amyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C24H26ClN3O4S MolecularWeight: 487.99894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H26ClN3O4S/c1-3-4-5-12-28-22(30)19-11-10-18(25)13-20(19)27-24(28)33-15-21(29)26-14-16-6-8-17(9-7-16)23(31)32-2/h6-11,13H,3-5,12,14-15H2,1-2H3,(H,26,29)