4-hexoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-(isonicotinamidothiocarbamoyl)benzamide Formula: C20H24N4O3S MolecularWeight: 400.49456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C20H24N4O3S/c1-2-3-4-5-14-27-17-8-6-15(7-9-17)18(25)22-20(28)24-23-19(26)16-10-12-21-13-11-16/h6-13H,2-5,14H2,1H3,(H,23,26)(H2,22,24,25,28)