5-[4-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]furan-2-carboxylic acid

Systemtic Name: 5-[4-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]furan-2-carboxylic acid Openeye Name: 5-[4-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]furan-2-carboxylic acid CAS Name: 5-[4-[(1Z)-1-[[methylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenyl]-2-furancarboxylic acid IUPAC Name: 5-[4-[(Z)-C-methyl-N-(methylcarbamothioylamino)carbonimidoyl]phenyl]furan-2-carboxylic acid Traditional Name: 5-[4-[(Z)-C-methyl-N-(methylthiocarbamoylamino)carbonimidoyl]phenyl]-2-furoic acid Formula: C15H15N3O3S MolecularWeight: 317.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NC)/C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

InChI

InChI=1S/C15H15N3O3S/c1-9(17-18-15(22)16-2)10-3-5-11(6-4-10)12-7-8-13(21-12)14(19)20/h3-8H,1-2H3,(H,19,20)(H2,16,18,22)/b17-9-