N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(3-chloranyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(3-chloro-4-methoxyphenyl)-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(3-chloro-4-methoxy-phenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C21H19ClN4O5S MolecularWeight: 474.91736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)Cl

InChI

InChI=1S/C21H19ClN4O5S/c1-30-19-5-2-13(10-16(19)22)17-12-32-21(23-17)24-20(27)15-11-14(26(28)29)3-4-18(15)25-6-8-31-9-7-25/h2-5,10-12H,6-9H2,1H3,(H,23,24,27)