2,6-dimethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 2,6-dimethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2,6-dimethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2,6-dimethoxy-N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,6-dimethoxy-N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H23N3O4S/c1-12(2)18(24)21-13-7-5-8-14(11-13)22-20(28)23-19(25)17-15(26-3)9-6-10-16(17)27-4/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,28)