methyl 4-[[4-[(E)-N-(carbamothioylamino)-C-ethyl-carbonimidoyl]-2-methoxy-phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E)-N-(carbamothioylamino)-C-ethyl-carbonimidoyl]-2-methoxy-phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-N-(carbamothioylamino)-C-ethyl-carbonimidoyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[4-[(1E)-1-(carbamothioylhydrazinylidene)propyl]-2-methoxyphenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E)-N-(carbamothioylamino)-C-ethylcarbonimidoyl]-2-methoxyphenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-C-ethyl-N-thioureido-carbonimidoyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=S)N)C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

CC/C(=N\NC(=S)N)/C1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C20H23N3O4S/c1-4-16(22-23-20(21)28)15-9-10-17(18(11-15)25-2)27-12-13-5-7-14(8-6-13)19(24)26-3/h5-11H,4,12H2,1-3H3,(H3,21,23,28)/b22-16+