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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[4-(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)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCC3CCCO3

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O4S/c1-16(2)11-13-33-22-10-7-18(26)14-21(22)24(31)29-25(34)28-19-8-5-17(6-9-19)23(30)27-15-20-4-3-12-32-20/h5-10,14,16,20H,3-4,11-13,15H2,1-2H3,(H,27,30)(H2,28,29,31,34)