3-iodanyl-4-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-4-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-iodo-4-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-iodo-4-methyl-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-4-methyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-iodo-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C19H20IN3O2S MolecularWeight: 481.35047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)C)I

InChI

InChI=1S/C19H20IN3O2S/c1-11(2)17(24)21-14-6-8-15(9-7-14)22-19(26)23-18(25)13-5-4-12(3)16(20)10-13/h4-11H,1-3H3,(H,21,24)(H2,22,23,25,26)