N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide

Systemtic Name: N-(6-bromanyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]sulfonyl-ethanamide Openeye Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]sulfonyl-acetamide CAS Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonylacetamide IUPAC Name: N-(6-bromo-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfonylacetamide Traditional Name: N-(6-bromo-3-propargyl-1,3-benzothiazol-2-ylidene)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]sulfonyl-acetamide Formula: C23H20BrN3O4S2 MolecularWeight: 546.4566

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC4=CC=CC=C43

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C23H20BrN3O4S2/c1-2-11-27-19-10-9-17(24)13-20(19)32-23(27)25-21(28)14-33(30,31)15-22(29)26-12-5-7-16-6-3-4-8-18(16)26/h1,3-4,6,8-10,13H,5,7,11-12,14-15H2