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

Systemtic Name: 3-bromanyl-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-methoxy-4-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-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=C2)Br)OC

Isomeric SMILES

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

InChI

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