3-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-ethoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-ethoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-ethoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OCC

InChI

InChI=1S/C21H25N3O3S/c1-3-5-12-19(25)22-16-9-7-10-17(14-16)23-21(28)24-20(26)15-8-6-11-18(13-15)27-4-2/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,25)(H2,23,24,26,28)