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

Systemtic Name: 5-bromanyl-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[3-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C26H28BrN3O4S MolecularWeight: 558.48722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C26H28BrN3O4S/c1-2-3-4-5-13-34-23-12-11-19(27)16-22(23)25(32)30-26(35)29-20-9-6-8-18(15-20)24(31)28-17-21-10-7-14-33-21/h6-12,14-16H,2-5,13,17H2,1H3,(H,28,31)(H2,29,30,32,35)