N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)CC

Isomeric SMILES

CCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC(=C(C=C2)C)NC(=O)CC

InChI

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