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

Systemtic Name: 4-chloranyl-N-[[2-(3-methylphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[2-(3-methylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[2-(3-methylphenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C17H15ClN4O5S MolecularWeight: 422.8428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O5S/c1-10-3-2-4-12(7-10)27-9-15(23)20-21-17(28)19-16(24)11-5-6-13(18)14(8-11)22(25)26/h2-8H,9H2,1H3,(H,20,23)(H2,19,21,24,28)