3-bromanyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-chlorophenyl)ethanoylamino]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-chlorophenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[[2-(4-chlorophenyl)acetyl]amino]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C20H21BrClN3O3S MolecularWeight: 498.82104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=C(C=C2)Cl)Br

InChI

InChI=1S/C20H21BrClN3O3S/c1-12(2)11-28-17-8-5-14(10-16(17)21)19(27)23-20(29)25-24-18(26)9-13-3-6-15(22)7-4-13/h3-8,10,12H,9,11H2,1-2H3,(H,24,26)(H2,23,25,27,29)