2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-acetamide CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-[(2-keto-2-morpholino-ethyl)thio]acetamide Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCOCC3

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSCC(=O)N3CCOCC3

InChI

InChI=1S/C18H20N4O5S2/c1-2-5-21-14-4-3-13(22(25)26)10-15(14)29-18(21)19-16(23)11-28-12-17(24)20-6-8-27-9-7-20/h2-4,10H,1,5-9,11-12H2