prop-2-enyl (1E)-N-(4-oxidanylidenequinazolin-3-yl)piperidine-1-carboximidothioate

Systemtic Name: prop-2-enyl (1E)-N-(4-oxidanylidenequinazolin-3-yl)piperidine-1-carboximidothioate Openeye Name: allyl (1E)-N-(4-oxoquinazolin-3-yl)piperidine-1-carboximidothioate CAS Name: (1E)-N-(4-oxo-3-quinazolinyl)-1-piperidinecarboximidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (1E)-N-(4-oxoquinazolin-3-yl)piperidine-1-carboximidothioate Traditional Name: (1E)-N-(4-ketoquinazolin-3-yl)piperidine-1-carboximidothioic acid allyl ester Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=NN1C=NC2=CC=CC=C2C1=O)N3CCCCC3

Isomeric SMILES

C=CCS/C(=N/N1C=NC2=CC=CC=C2C1=O)/N3CCCCC3

InChI

InChI=1S/C17H20N4OS/c1-2-12-23-17(20-10-6-3-7-11-20)19-21-13-18-15-9-5-4-8-14(15)16(21)22/h2,4-5,8-9,13H,1,3,6-7,10-12H2/b19-17+