3,3-dimorpholin-4-yl-2-nitro-N-phenyl-prop-2-enethioamide

Systemtic Name: 3,3-dimorpholin-4-yl-2-nitro-N-phenyl-prop-2-enethioamide Openeye Name: 3,3-dimorpholino-2-nitro-N-phenyl-prop-2-enethioamide CAS Name: 3,3-bis(4-morpholinyl)-2-nitro-N-phenyl-2-propenethioamide IUPAC Name: 3,3-dimorpholin-4-yl-2-nitro-N-phenylprop-2-enethioamide Traditional Name: 3,3-dimorpholino-2-nitro-N-phenyl-thioacrylamide Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=C(C(=S)NC2=CC=CC=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

C1COCCN1C(=C(C(=S)NC2=CC=CC=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C17H22N4O4S/c22-21(23)15(16(26)18-14-4-2-1-3-5-14)17(19-6-10-24-11-7-19)20-8-12-25-13-9-20/h1-5H,6-13H2,(H,18,26)