5-bromanyl-2-ethoxy-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H20BrN3O4S/c1-2-29-19-10-9-14(23)12-17(19)21(28)26-22(31)25-18-8-4-3-7-16(18)20(27)24-13-15-6-5-11-30-15/h3-12H,2,13H2,1H3,(H,24,27)(H2,25,26,28,31)