3,5-bis(bromanyl)-2-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H21Br2N3O3S MolecularWeight: 543.27204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)Br)Br

InChI

InChI=1S/C20H21Br2N3O3S/c1-3-4-8-17(26)23-13-6-5-7-14(11-13)24-20(29)25-19(27)15-9-12(21)10-16(22)18(15)28-2/h5-7,9-11H,3-4,8H2,1-2H3,(H,23,26)(H2,24,25,27,29)