5-[4-[(Z)-N-(3-ethoxypropylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylic acid

Systemtic Name: 5-[4-[(Z)-N-(3-ethoxypropylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylic acid Openeye Name: 5-[4-[(Z)-N-(3-ethoxypropylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylic acid CAS Name: 5-[4-[(1Z)-1-[[(3-ethoxypropylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]phenyl]-2-furancarboxylic acid IUPAC Name: 5-[4-[(Z)-N-(3-ethoxypropylcarbamothioylamino)-C-methylcarbonimidoyl]phenyl]furan-2-carboxylic acid Traditional Name: 5-[4-[(Z)-N-(3-ethoxypropylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]-2-furoic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC(=S)NN=C(C)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-3-25-12-4-11-20-19(27)22-21-13(2)14-5-7-15(8-6-14)16-9-10-17(26-16)18(23)24/h5-10H,3-4,11-12H2,1-2H3,(H,23,24)(H2,20,22,27)/b21-13-