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

Systemtic Name: ethyl 4-[2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H30N4O4S MolecularWeight: 446.563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(C)C

InChI

InChI=1S/C22H30N4O4S/c1-4-30-22(29)25-13-11-24(12-14-25)19(27)15-31-21-23-18-8-6-5-7-17(18)20(28)26(21)10-9-16(2)3/h5-8,16H,4,9-15H2,1-3H3