N-(4-acetamido-3-chloranyl-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-acetamido-3-chlorophenyl)-2-[[4-(ethylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-2-[[4-(ethylamino)quinazolin-2-yl]thio]acetamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-3-22-19-14-6-4-5-7-16(14)25-20(26-19)29-11-18(28)24-13-8-9-17(15(21)10-13)23-12(2)27/h4-10H,3,11H2,1-2H3,(H,23,27)(H,24,28)(H,22,25,26)