2-(3,5-dimethylphenoxy)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-(isonicotinamidothiocarbamoyl)acetamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NNC(=O)C2=CC=NC=C2)C

InChI

InChI=1S/C17H18N4O3S/c1-11-7-12(2)9-14(8-11)24-10-15(22)19-17(25)21-20-16(23)13-3-5-18-6-4-13/h3-9H,10H2,1-2H3,(H,20,23)(H2,19,21,22,25)