3,4,5-trimethoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]benzamide Formula: C21H25N3O5S MolecularWeight: 431.5053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-6-18(25)23-15-11-14(8-7-12(15)2)22-21(30)24-20(26)13-9-16(27-3)19(29-5)17(10-13)28-4/h7-11H,6H2,1-5H3,(H,23,25)(H2,22,24,26,30)