N-(3-cyano-4-methyl-5-morpholin-4-ylcarbonyl-thiophen-2-yl)-4-nitro-benzamide

Systemtic Name: N-(3-cyano-4-methyl-5-morpholin-4-ylcarbonyl-thiophen-2-yl)-4-nitro-benzamide Openeye Name: N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)-2-thienyl]-4-nitro-benzamide CAS Name: N-[3-cyano-4-methyl-5-[4-morpholinyl(oxo)methyl]-2-thiophenyl]-4-nitrobenzamide IUPAC Name: N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)-2-thienyl]-4-nitro-benzamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCOCC3

InChI

InChI=1S/C18H16N4O5S/c1-11-14(10-19)17(28-15(11)18(24)21-6-8-27-9-7-21)20-16(23)12-2-4-13(5-3-12)22(25)26/h2-5H,6-9H2,1H3,(H,20,23)