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

Systemtic Name: 2-bromanyl-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H16BrN3O3S MolecularWeight: 458.32834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrN3O3S/c21-17-6-2-1-5-16(17)19(26)24-20(28)23-14-9-7-13(8-10-14)18(25)22-12-15-4-3-11-27-15/h1-11H,12H2,(H,22,25)(H2,23,24,26,28)