3-[5-(4-chlorophenyl)furan-2-yl]-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide

Systemtic Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]prop-2-enamide Openeye Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide CAS Name: 3-[5-(4-chlorophenyl)-2-furanyl]-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: 3-[5-(4-chlorophenyl)furan-2-yl]-N-[(pyridine-4-carbonylamino)carbamothioyl]prop-2-enamide Traditional Name: 3-[5-(4-chlorophenyl)-2-furyl]-N-(isonicotinamidothiocarbamoyl)acrylamide Formula: C20H15ClN4O3S MolecularWeight: 426.8761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C=CC(=O)NC(=S)NNC(=O)C3=CC=NC=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C=CC(=O)NC(=S)NNC(=O)C3=CC=NC=C3)Cl

InChI

InChI=1S/C20H15ClN4O3S/c21-15-3-1-13(2-4-15)17-7-5-16(28-17)6-8-18(26)23-20(29)25-24-19(27)14-9-11-22-12-10-14/h1-12H,(H,24,27)(H2,23,25,26,29)