N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(trifluoromethyl)benzamide Formula: C20H14F3N3O2S MolecularWeight: 417.40427

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CC#C

InChI

InChI=1S/C20H14F3N3O2S/c1-3-9-26-16-8-7-15(24-12(2)27)11-17(16)29-19(26)25-18(28)13-5-4-6-14(10-13)20(21,22)23/h1,4-8,10-11H,9H2,2H3,(H,24,27)