1-methyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]cyclohexane-1-carboxamide

Systemtic Name: 1-methyl-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]cyclohexane-1-carboxamide Openeye Name: 1-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide CAS Name: 1-methyl-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-cyclohexanecarboxamide IUPAC Name: 1-methyl-N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexane-1-carboxamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-1-methyl-cyclohexanecarboxamide Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

CC1(CCCCC1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C15H20N4O2S/c1-15(7-3-2-4-8-15)13(21)17-14(22)19-18-12(20)11-5-9-16-10-6-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,18,20)(H2,17,19,21,22)