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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[3-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[3-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[3-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H30BrN3O4S MolecularWeight: 548.4924

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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)NCC3CCCO3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3CCCO3)Br

InChI

InChI=1S/C25H30BrN3O4S/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/h3,5-6,8-9,13-14,16,20H,4,7,10-12,15H2,1-2H3,(H,27,30)(H2,28,29,31,34)