2-[[5-[(Z)-N-(tert-butylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(Z)-N-(tert-butylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(Z)-N-(tert-butylcarbamothioylamino)-C-methyl-carbonimidoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(1Z)-1-[[(tert-butylamino)-sulfanylidenemethyl]hydrazinylidene]ethyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(Z)-N-(tert-butylcarbamothioylamino)-C-methylcarbonimidoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(Z)-N-(tert-butylthiocarbamoylamino)-C-methyl-carbonimidoyl]-2-methoxy-benzyl]thio]acetic acid Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NC(C)(C)C)C1=CC(=C(C=C1)OC)CSCC(=O)O

Isomeric SMILES

C/C(=N/NC(=S)NC(C)(C)C)/C1=CC(=C(C=C1)OC)CSCC(=O)O

InChI

InChI=1S/C17H25N3O3S2/c1-11(19-20-16(24)18-17(2,3)4)12-6-7-14(23-5)13(8-12)9-25-10-15(21)22/h6-8H,9-10H2,1-5H3,(H,21,22)(H2,18,20,24)/b19-11-