ethyl 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H28N4O4S/c1-3-5-10-25-19(27)16-8-6-7-9-17(16)22-20(25)30-15-18(26)23-11-13-24(14-12-23)21(28)29-4-2/h6-9H,3-5,10-15H2,1-2H3