5-bromanyl-2-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[[4-(isobutyrylamino)phenyl]thiocarbamoyl]benzamide Formula: C18H17BrClN3O2S MolecularWeight: 454.76848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)Cl

InChI

InChI=1S/C18H17BrClN3O2S/c1-10(2)16(24)21-12-4-6-13(7-5-12)22-18(26)23-17(25)14-9-11(19)3-8-15(14)20/h3-10H,1-2H3,(H,21,24)(H2,22,23,25,26)