ethyl 4-[(4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-oxidanylidene-3-pentyl-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-3-pentyl-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(4-oxo-3-pentyl-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(3-amyl-4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)NC1=S

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OCC)NC1=S

InChI

InChI=1S/C21H28N4O4S/c1-3-5-6-9-25-19(27)16-8-7-15(14-17(16)22-20(25)30)18(26)23-10-12-24(13-11-23)21(28)29-4-2/h7-8,14H,3-6,9-13H2,1-2H3,(H,22,30)