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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O5S/c1-14-20(15-3-6-17(30-2)7-4-15)23-22(32-14)24-21(27)16-5-8-18(19(13-16)26(28)29)25-9-11-31-12-10-25/h3-8,13H,9-12H2,1-2H3,(H,23,24,27)