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

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-acetamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]acetamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[(2-keto-2-pyrrolidino-ethyl)thio]acetamide Formula: C18H18BrN3O2S2 MolecularWeight: 452.38842

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CSCC(=O)N3CCCC3

InChI

InChI=1S/C18H18BrN3O2S2/c1-2-7-22-14-6-5-13(19)10-15(14)26-18(22)20-16(23)11-25-12-17(24)21-8-3-4-9-21/h1,5-6,10H,3-4,7-9,11-12H2