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

Systemtic Name: 5-bromanyl-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[4-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[4-(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=C(C=C2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3=CC=CO3

InChI

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