3-bromanyl-4-butoxy-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3-methylphenoxy)acetyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H23BrClN3O4S MolecularWeight: 528.84702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC(=C(C=C2)Cl)C)Br

InChI

InChI=1S/C21H23BrClN3O4S/c1-3-4-9-29-18-8-5-14(11-16(18)22)20(28)24-21(31)26-25-19(27)12-30-15-6-7-17(23)13(2)10-15/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,25,27)(H2,24,26,28,31)