N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-methoxy-4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-methoxy-4-(2-methylpropanoylamino)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(isobutyrylamino)-3-methoxy-phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC

InChI

InChI=1S/C19H20N4O5S/c1-11(2)17(24)21-14-9-8-12(10-16(14)28-3)20-19(29)22-18(25)13-6-4-5-7-15(13)23(26)27/h4-11H,1-3H3,(H,21,24)(H2,20,22,25,29)