methyl 4-[[2-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[2-[(Z)-(butylcarbamothioylhydrazono)methyl]phenoxy]methyl]benzoate CAS Name: 4-[[2-[(Z)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(Z)-(butylcarbamothioylhydrazinylidene)methyl]phenoxy]methyl]benzoate Traditional Name: 4-[[2-[(Z)-(butylthiocarbamoylhydrazono)methyl]phenoxy]methyl]benzoic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CC=CC=C1OCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25N3O3S/c1-3-4-13-22-21(28)24-23-14-18-7-5-6-8-19(18)27-15-16-9-11-17(12-10-16)20(25)26-2/h5-12,14H,3-4,13,15H2,1-2H3,(H2,22,24,28)/b23-14-