5-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylate

Systemtic Name: 5-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylate Openeye Name: 5-[4-[(Z)-N-(butylcarbamothioylamino)-C-methyl-carbonimidoyl]phenyl]furan-2-carboxylate CAS Name: 5-[4-[(1Z)-1-[[butylamino(sulfanylidene)methyl]hydrazinylidene]ethyl]phenyl]-2-furancarboxylate IUPAC Name: 5-[4-[(Z)-N-(butylcarbamothioylamino)-C-methylcarbonimidoyl]phenyl]furan-2-carboxylate Traditional Name: 5-[4-[(Z)-N-(butylthiocarbamoylamino)-C-methyl-carbonimidoyl]phenyl]-2-furoate Formula: C18H20N3O3S- MolecularWeight: 358.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=C(C)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CCCCNC(=S)N/N=C(/C)\C1=CC=C(C=C1)C2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-3-4-11-19-18(25)21-20-12(2)13-5-7-14(8-6-13)15-9-10-16(24-15)17(22)23/h5-10H,3-4,11H2,1-2H3,(H,22,23)(H2,19,21,25)/p-1/b20-12-