3-butoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-(isonicotinamidothiocarbamoyl)benzamide Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2

InChI

InChI=1S/C18H20N4O3S/c1-2-3-11-25-15-6-4-5-14(12-15)16(23)20-18(26)22-21-17(24)13-7-9-19-10-8-13/h4-10,12H,2-3,11H2,1H3,(H,21,24)(H2,20,22,23,26)