N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-yl-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[2-(5-methyl-2-furanyl)-2-(4-morpholinyl)ethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[2-(5-methyl-2-furyl)-2-morpholino-ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CC1=CC=C(O1)C(CNC(=O)C(C)SC2=CC=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H25N3O5S/c1-14-3-8-19(28-14)18(22-9-11-27-12-10-22)13-21-20(24)15(2)29-17-6-4-16(5-7-17)23(25)26/h3-8,15,18H,9-13H2,1-2H3,(H,21,24)