N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioyl]-4-chloro-3-nitro-benzamide CAS Name: N-[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoyl]-4-chloro-3-nitro-benzamide Formula: C18H16BrClN4O5S MolecularWeight: 515.76544

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C18H16BrClN4O5S/c1-2-10-3-6-15(12(19)7-10)29-9-16(25)22-23-18(30)21-17(26)11-4-5-13(20)14(8-11)24(27)28/h3-8H,2,9H2,1H3,(H,22,25)(H2,21,23,26,30)