N-(2-chloranyl-4-nitro-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4-nitro-phenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4-nitro-phenyl)-2-[2-(morpholinomethyl)quinazolin-4-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4-nitrophenyl)-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4-nitrophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4-nitro-phenyl)-2-[[2-(morpholinomethyl)quinazolin-4-yl]thio]propionamide Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)SC2=NC(=NC3=CC=CC=C32)CN4CCOCC4

InChI

InChI=1S/C22H22ClN5O4S/c1-14(21(29)25-19-7-6-15(28(30)31)12-17(19)23)33-22-16-4-2-3-5-18(16)24-20(26-22)13-27-8-10-32-11-9-27/h2-7,12,14H,8-11,13H2,1H3,(H,25,29)