3-bromanyl-4-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O3S/c1-3-4-8-18(25)22-14-6-5-7-15(12-14)23-20(28)24-19(26)13-9-10-17(27-2)16(21)11-13/h5-7,9-12H,3-4,8H2,1-2H3,(H,22,25)(H2,23,24,26,28)