N-[[5-butyl-2-(furan-2-ylcarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[5-butyl-2-(furan-2-ylcarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[5-butyl-2-(furan-2-carbonylcarbamothioylamino)-3-pyridyl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[5-butyl-2-[[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-3-pyridinyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[5-butyl-2-(furan-2-carbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[5-butyl-2-(2-furoylthiocarbamoylamino)-3-pyridyl]thiocarbamoyl]-2-furamide Formula: C21H21N5O4S2 MolecularWeight: 471.55254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(N=C1)NC(=S)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

CCCCC1=CC(=C(N=C1)NC(=S)NC(=O)C2=CC=CO2)NC(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H21N5O4S2/c1-2-3-6-13-11-14(23-20(31)25-18(27)15-7-4-9-29-15)17(22-12-13)24-21(32)26-19(28)16-8-5-10-30-16/h4-5,7-12H,2-3,6H2,1H3,(H2,23,25,27,31)(H2,22,24,26,28,32)