ethyl 1-[(4-oxidanylidene-1H-quinazolin-6-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-oxidanylidene-1H-quinazolin-6-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-oxo-1H-quinazolin-6-yl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(4-oxo-1H-quinazolin-6-yl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-oxo-1H-quinazolin-6-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-keto-1H-quinazolin-6-yl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)NC=NC3=O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)NC=NC3=O

InChI

InChI=1S/C17H20N4O3S/c1-2-24-16(23)11-5-7-21(8-6-11)17(25)20-12-3-4-14-13(9-12)15(22)19-10-18-14/h3-4,9-11H,2,5-8H2,1H3,(H,20,25)(H,18,19,22)