2-[[5-[(Z)-N-(furan-2-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate

Systemtic Name: 2-[[5-[(Z)-N-(furan-2-ylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-(2-furylmethylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(1Z)-1-[[(2-furanylmethylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(Z)-N-(furan-2-ylmethylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(Z)-N-(2-furfurylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetate Formula: C18H20N3O4S2- MolecularWeight: 406.4991

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC=CO1)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC=CO1)/C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-12(20-21-18(26)19-9-15-4-3-7-25-15)13-5-6-16(24-2)14(8-13)10-27-11-17(22)23/h3-8H,9-11H2,1-2H3,(H,22,23)(H2,19,21,26)/p-1/b20-12-