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

Systemtic Name: N-(6-bromanyl-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-ethanamide Openeye Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-acetamide CAS Name: N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]acetamide IUPAC Name: N-(6-bromo-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide Traditional Name: N-(3-allyl-6-bromo-1,3-benzothiazol-2-ylidene)-2-[(2-keto-2-morpholino-ethyl)thio]acetamide Formula: C18H20BrN3O3S2 MolecularWeight: 470.4037

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCOCC3

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCOCC3

InChI

InChI=1S/C18H20BrN3O3S2/c1-2-5-22-14-4-3-13(19)10-15(14)27-18(22)20-16(23)11-26-12-17(24)21-6-8-25-9-7-21/h2-4,10H,1,5-9,11-12H2