2,4-dimethyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,4-dimethyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dimethyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dimethyl-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2,4-dimethyl-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-4-5-9-19(25)22-16-7-6-8-17(13-16)23-21(27)24-20(26)18-11-10-14(2)12-15(18)3/h6-8,10-13H,4-5,9H2,1-3H3,(H,22,25)(H2,23,24,26,27)