prop-2-enyl N,N-diethyl-N'-(4-oxidanylidenequinazolin-3-yl)carbamimidothioate

Systemtic Name: prop-2-enyl N,N-diethyl-N'-(4-oxidanylidenequinazolin-3-yl)carbamimidothioate Openeye Name: 2-allyl-1,1-diethyl-3-(4-oxoquinazolin-3-yl)isothiourea CAS Name: N,N-diethyl-N'-(4-oxo-3-quinazolinyl)carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N,N-diethyl-N'-(4-oxoquinazolin-3-yl)carbamimidothioate Traditional Name: 2-allyl-1,1-diethyl-3-(4-ketoquinazolin-3-yl)isothiourea Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=NN1C=NC2=CC=CC=C2C1=O)SCC=C

Isomeric SMILES

CCN(CC)/C(=N/N1C=NC2=CC=CC=C2C1=O)/SCC=C

InChI

InChI=1S/C16H20N4OS/c1-4-11-22-16(19(5-2)6-3)18-20-12-17-14-10-8-7-9-13(14)15(20)21/h4,7-10,12H,1,5-6,11H2,2-3H3/b18-16-