N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-2-(4-nitroimidazol-1-yl)ethanamide

Systemtic Name: N-(4-methyl-3-morpholin-4-ylcarbonyl-5-phenyl-thiophen-2-yl)-2-(4-nitroimidazol-1-yl)ethanamide Openeye Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-[4-methyl-3-[4-morpholinyl(oxo)methyl]-5-phenyl-2-thiophenyl]-2-(4-nitro-1-imidazolyl)acetamide IUPAC Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenyl-2-thienyl]-2-(4-nitroimidazol-1-yl)acetamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCOCC2)NC(=O)CN3C=C(N=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O5S/c1-14-18(21(28)25-7-9-31-10-8-25)20(32-19(14)15-5-3-2-4-6-15)23-17(27)12-24-11-16(22-13-24)26(29)30/h2-6,11,13H,7-10,12H2,1H3,(H,23,27)