5-bromanyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-chloranyl-5-(propanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[2-chloro-5-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-chloro-5-(propanoylamino)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[(2-chloro-5-propionamido-phenyl)thiocarbamoyl]-2-methoxy-benzamide Formula: C18H17BrClN3O3S MolecularWeight: 470.76788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrClN3O3S/c1-3-16(24)21-11-5-6-13(20)14(9-11)22-18(27)23-17(25)12-8-10(19)4-7-15(12)26-2/h4-9H,3H2,1-2H3,(H,21,24)(H2,22,23,25,27)