methyl 2-[3-oxidanylidene-1-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]piperazin-2-yl]acetic acid methyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCNC(=O)C3CC(=O)OC

InChI

InChI=1S/C20H24N4O5S/c1-3-9-24-19(28)13-6-4-5-7-14(13)22-20(24)30-12-16(25)23-10-8-21-18(27)15(23)11-17(26)29-2/h4-7,15H,3,8-12H2,1-2H3,(H,21,27)