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

Systemtic Name: 5-bromanyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C23H22BrN3O4S MolecularWeight: 516.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H22BrN3O4S/c1-14(2)31-20-10-9-15(24)12-18(20)22(29)27-23(32)26-19-8-4-3-7-17(19)21(28)25-13-16-6-5-11-30-16/h3-12,14H,13H2,1-2H3,(H,25,28)(H2,26,27,29,32)