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

Systemtic Name: ethyl 4-[2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C22H28N4O4S/c1-2-30-22(29)25-13-11-24(12-14-25)19(27)15-31-21-23-18-10-6-5-9-17(18)20(28)26(21)16-7-3-4-8-16/h5-6,9-10,16H,2-4,7-8,11-15H2,1H3