3-bromanyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C26H28BrN3O4S MolecularWeight: 558.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C26H28BrN3O4S/c1-2-3-4-7-14-34-23-13-12-18(16-21(23)27)24(31)30-26(35)29-22-11-6-5-10-20(22)25(32)28-17-19-9-8-15-33-19/h5-6,8-13,15-16H,2-4,7,14,17H2,1H3,(H,28,32)(H2,29,30,31,35)