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

Systemtic Name: 4-chloranyl-N-[[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C17H14Cl2N4O5S MolecularWeight: 457.28786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14Cl2N4O5S/c1-9-6-11(18)3-5-14(9)28-8-15(24)21-22-17(29)20-16(25)10-2-4-12(19)13(7-10)23(26)27/h2-7H,8H2,1H3,(H,21,24)(H2,20,22,25,29)