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

Systemtic Name: N-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-butoxy-benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O4S/c1-3-4-10-28-16-7-5-6-15(12-16)20(27)23-21(30)25-24-19(26)13-29-18-9-8-14(2)11-17(18)22/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,26)(H2,23,25,27,30)