N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]-4-morpholino-3-nitro-benzamide CAS Name: N-[5-[(4-methoxyphenyl)methyl]-2-thiazolyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-3-nitro-N-(5-p-anisylthiazol-2-yl)benzamide Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-30-17-5-2-15(3-6-17)12-18-14-23-22(32-18)24-21(27)16-4-7-19(20(13-16)26(28)29)25-8-10-31-11-9-25/h2-7,13-14H,8-12H2,1H3,(H,23,24,27)