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

Systemtic Name: ethyl 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-2-thioxo-1H-quinazoline-7-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C16H18N4O4S/c1-2-24-16(23)20-7-5-19(6-8-20)14(22)10-3-4-11-12(9-10)17-15(25)18-13(11)21/h3-4,9H,2,5-8H2,1H3,(H2,17,18,21,25)