2,4-dimethyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 2,4-dimethyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 2,4-dimethyl-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 2,4-dimethyl-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dimethyl-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-2,4-dimethyl-benzamide Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4O2S/c1-10-3-4-13(11(2)9-10)15(22)18-16(23)20-19-14(21)12-5-7-17-8-6-12/h3-9H,1-2H3,(H,19,21)(H2,18,20,22,23)