N-(3-chloranyl-2-morpholin-4-yl-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-2-morpholin-4-yl-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(3-chloro-2-morpholino-phenyl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-[3-chloro-2-(4-morpholinyl)phenyl]-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(3-chloro-2-morpholin-4-ylphenyl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(3-chloro-2-morpholino-phenyl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5S/c1-28-18-6-5-14(11-17(18)24(26)27)12-30-13-19(25)22-16-4-2-3-15(21)20(16)23-7-9-29-10-8-23/h2-6,11H,7-10,12-13H2,1H3,(H,22,25)