3-bromanyl-4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C)Br

InChI

InChI=1S/C25H32BrN3O3S/c1-4-5-6-7-14-32-22-13-8-18(16-21(22)26)24(31)29-25(33)28-20-11-9-19(10-12-20)27-23(30)15-17(2)3/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,27,30)(H2,28,29,31,33)