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

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[[2-(4-bromo-3-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=CC(=C(C=C2)Br)C

Isomeric SMILES

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

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)13-29-17-8-9-18(22)14(2)11-17/h5-9,11-12H,3-4,10,13H2,1-2H3,(H,24,26)(H2,23,25,27,30)