5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-butoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-butoxy-benzamide Openeye Name: 5-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-butoxy-benzamide CAS Name: 5-bromo-2-butoxy-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-butoxybenzamide Traditional Name: 5-bromo-2-butoxy-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]benzamide Formula: C22H25BrClN3O3S MolecularWeight: 526.8742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)NC(=O)CCC)Cl

InChI

InChI=1S/C22H25BrClN3O3S/c1-3-5-11-30-19-10-7-14(23)12-16(19)21(29)27-22(31)26-18-13-15(8-9-17(18)24)25-20(28)6-4-2/h7-10,12-13H,3-6,11H2,1-2H3,(H,25,28)(H2,26,27,29,31)