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

Systemtic Name: N-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S/c1-11-5-3-8-15(12(11)2)27-10-16(23)20-21-18(28)19-17(24)13-6-4-7-14(9-13)22(25)26/h3-9H,10H2,1-2H3,(H,20,23)(H2,19,21,24,28)