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

Systemtic Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-p-phenetyl-acetamide Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C

InChI

InChI=1S/C24H26N4O3S/c1-4-31-19-12-10-18(11-13-19)27(15-7-14-25)22(29)16-32-24-26-21-9-6-5-8-20(21)23(30)28(24)17(2)3/h5-6,8-13,17H,4,7,15-16H2,1-3H3