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

Systemtic Name: 2-bromanyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[3-methoxy-4-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br)OC

InChI

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