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

Systemtic Name: 2-[[5-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoate Openeye Name: 2-[[5-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetate CAS Name: 2-[[5-[(1Z)-1-[[(cyclohexylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetate IUPAC Name: 2-[[5-[(Z)-N-(cyclohexylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetate Traditional Name: 2-[[5-[(Z)-N-(cyclohexylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetate Formula: C19H26N3O3S2- MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC1CCCCC1)C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

Isomeric SMILES

C/C(=N/NC(=S)NC1CCCCC1)/C2=CC(=C(C=C2)OC)CSCC(=O)[O-]

InChI

InChI=1S/C19H27N3O3S2/c1-13(21-22-19(26)20-16-6-4-3-5-7-16)14-8-9-17(25-2)15(10-14)11-27-12-18(23)24/h8-10,16H,3-7,11-12H2,1-2H3,(H,23,24)(H2,20,22,26)/p-1/b21-13-