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

Systemtic Name: 2-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-methoxy-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C20H23N3O3S MolecularWeight: 385.47992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-3-4-12-18(24)21-14-8-7-9-15(13-14)22-20(27)23-19(25)16-10-5-6-11-17(16)26-2/h5-11,13H,3-4,12H2,1-2H3,(H,21,24)(H2,22,23,25,27)