methyl 4-[[2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E)-(isopropylcarbamothioylhydrazono)methyl]-2-methoxy-phenoxy]methyl]benzoate CAS Name: 4-[[2-methoxy-4-[(E)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E)-(isopropylthiocarbamoylhydrazono)methyl]-2-methoxy-phenoxy]methyl]benzoic acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NN=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-14(2)23-21(29)24-22-12-16-7-10-18(19(11-16)26-3)28-13-15-5-8-17(9-6-15)20(25)27-4/h5-12,14H,13H2,1-4H3,(H2,23,24,29)/b22-12+