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

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

Isomeric SMILES

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

InChI

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