N-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[(3-aminocarbonyl-4,5-dimethyl-thiophen-2-yl)carbamothioyl]-5-bromanyl-furan-2-carboxamide Openeye Name: 5-bromo-N-[(3-carbamoyl-4,5-dimethyl-2-thienyl)carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[(3-carbamoyl-4,5-dimethyl-2-thiophenyl)amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[(3-carbamoyl-4,5-dimethyl-2-thienyl)thiocarbamoyl]-2-furamide Formula: C13H12BrN3O3S2 MolecularWeight: 402.28668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(O2)Br)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C2=CC=C(O2)Br)C

InChI

InChI=1S/C13H12BrN3O3S2/c1-5-6(2)22-12(9(5)10(15)18)17-13(21)16-11(19)7-3-4-8(14)20-7/h3-4H,1-2H3,(H2,15,18)(H2,16,17,19,21)