N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioyl]-4-chloranyl-3-nitro-benzamide Openeye Name: 4-chloro-3-nitro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioyl]benzamide CAS Name: N-[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioyl]-4-chloro-3-nitrobenzamide Traditional Name: 4-chloro-3-nitro-N-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S/c1-3-12(2)14-6-4-5-7-17(14)30-11-18(26)23-24-20(31)22-19(27)13-8-9-15(21)16(10-13)25(28)29/h4-10,12H,3,11H2,1-2H3,(H,23,26)(H2,22,24,27,31)