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

Systemtic Name: 5-[4-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]furan-2-carboxylic acid Openeye Name: 5-[4-[(Z)-N-(allylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylic acid CAS Name: 5-[4-[(1Z)-1-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]-2-furancarboxylic acid IUPAC Name: 5-[4-[(Z)-C-methyl-N-(prop-2-enylcarbamothioylamino)carbonimidoyl]phenyl]furan-2-carboxylic acid Traditional Name: 5-[4-[(Z)-N-(allylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]-2-furoic acid Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-3-10-18-17(24)20-19-11(2)12-4-6-13(7-5-12)14-8-9-15(23-14)16(21)22/h3-9H,1,10H2,2H3,(H,21,22)(H2,18,20,24)/b19-11-