5-bromanyl-2-(3-methylbutoxy)-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-[oxo(propylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[3-(propylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CCCNC(=O)C1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C23H28BrN3O3S/c1-4-11-25-21(28)16-6-5-7-18(13-16)26-23(31)27-22(29)19-14-17(24)8-9-20(19)30-12-10-15(2)3/h5-9,13-15H,4,10-12H2,1-3H3,(H,25,28)(H2,26,27,29,31)