4-chloranyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C18H17ClN4O5S MolecularWeight: 436.86938

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O5S/c1-10-5-11(2)7-13(6-10)28-9-16(24)21-22-18(29)20-17(25)12-3-4-14(19)15(8-12)23(26)27/h3-8H,9H2,1-2H3,(H,21,24)(H2,20,22,25,29)