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

Systemtic Name: 3-bromanyl-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-[[3-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[[3-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-[[3-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-4-isoamoxy-benzamide Formula: C25H26BrN3O4S MolecularWeight: 544.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CO3)Br

InChI

InChI=1S/C25H26BrN3O4S/c1-16(2)10-12-33-22-9-8-18(14-21(22)26)24(31)29-25(34)28-19-6-3-5-17(13-19)23(30)27-15-20-7-4-11-32-20/h3-9,11,13-14,16H,10,12,15H2,1-2H3,(H,27,30)(H2,28,29,31,34)