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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholino-2-oxo-ethyl)sulfanyl-acetamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]acetamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[(2-keto-2-morpholino-ethyl)thio]acetamide Formula: C18H18BrN3O3S2 MolecularWeight: 468.38782

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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/C18H18BrN3O3S2/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/h1,3-4,10H,5-9,11-12H2