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

Systemtic Name: 5-bromanyl-N-[[5-(butanoylamino)-2-chloranyl-phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[5-(butanoylamino)-2-chloro-phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[2-chloro-5-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(5-butyramido-2-chloro-phenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C21H23BrClN3O3S MolecularWeight: 512.84762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrClN3O3S/c1-3-5-19(27)24-14-7-8-16(23)17(12-14)25-21(30)26-20(28)15-11-13(22)6-9-18(15)29-10-4-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,24,27)(H2,25,26,28,30)