N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-ethanamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-ethanamide Openeye Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-morpholino-2-oxo-ethyl)sulfanyl-acetamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]acetamide IUPAC Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide Formula: C18H22N4O6S2 MolecularWeight: 454.52048

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCOCC3

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCOCC3

InChI

InChI=1S/C18H22N4O6S2/c1-27-7-6-21-14-3-2-13(22(25)26)10-15(14)30-18(21)19-16(23)11-29-12-17(24)20-4-8-28-9-5-20/h2-3,10H,4-9,11-12H2,1H3