ethyl N-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]carbamate

Systemtic Name: ethyl N-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]carbamate Openeye Name: ethyl N-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]carbamate CAS Name: N-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]carbamate Traditional Name: N-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]carbamic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)OCC

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)OCC

InChI

InChI=1S/C19H25N3O4S/c1-3-5-6-9-12-22-17(24)14-10-7-8-11-15(14)20-18(22)27-13-16(23)21-19(25)26-4-2/h7-8,10-11H,3-6,9,12-13H2,1-2H3,(H,21,23,25)