2-(2,5-dimethylphenoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenoxy)-N-[[(3-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(2,5-dimethylphenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(2,5-dimethylphenoxy)-N-[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[[(3-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(2,5-dimethylphenoxy)-N-[[(3-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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