ethyl 4-(2-quinazolin-4-ylsulfanylethanoyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-quinazolin-4-ylsulfanylethanoyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-quinazolin-4-ylsulfanylacetyl)piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-(4-quinazolinylthio)ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-quinazolin-4-ylsulfanylacetyl)piperazine-1-carboxylate Traditional Name: 4-[2-(quinazolin-4-ylthio)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

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