methyl 4-[[4-[(E,3E)-3-(carbamothioylhydrazinylidene)but-1-enyl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(E,3E)-3-(carbamothioylhydrazinylidene)but-1-enyl]phenoxy]methyl]benzoate Openeye Name: methyl 4-[[4-[(E,3E)-3-(carbamothioylhydrazono)but-1-enyl]phenoxy]methyl]benzoate CAS Name: 4-[[4-[(E,3E)-3-(carbamothioylhydrazinylidene)but-1-enyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(E,3E)-3-(carbamothioylhydrazinylidene)but-1-enyl]phenoxy]methyl]benzoate Traditional Name: 4-[[4-[(E,3E)-3-(thiocarbamoylhydrazono)but-1-enyl]phenoxy]methyl]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)C=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-14(22-23-20(21)27)3-4-15-7-11-18(12-8-15)26-13-16-5-9-17(10-6-16)19(24)25-2/h3-12H,13H2,1-2H3,(H3,21,23,27)/b4-3+,22-14+