N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-furylmethyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-furanylmethyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-furfuryl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C21H22N4O3S/c1-15(2)25-20(27)17-8-3-4-9-18(17)23-21(25)29-14-19(26)24(11-6-10-22)13-16-7-5-12-28-16/h3-5,7-9,12,15H,6,11,13-14H2,1-2H3