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

Systemtic Name: ethyl 4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl)carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[(4-oxo-2-thioxo-1H-quinazoline-7-carbonyl)amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-(4-oxo-2-sulfanylidene-1H-quinazolin-7-yl)methyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl)amino]piperidine-1-carboxylate Traditional Name: 4-[(4-keto-2-thioxo-1H-quinazoline-7-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3

InChI

InChI=1S/C17H20N4O4S/c1-2-25-17(24)21-7-5-11(6-8-21)18-14(22)10-3-4-12-13(9-10)19-16(26)20-15(12)23/h3-4,9,11H,2,5-8H2,1H3,(H,18,22)(H2,19,20,23,26)