ethyl (1Z)-N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]hexanehydrazonate

Systemtic Name: ethyl (1Z)-N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]hexanehydrazonate Openeye Name: ethyl (1Z)-N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]hexanehydrazonate CAS Name: (1Z)-N-[[[4-(2-cyanophenyl)phenyl]methylamino]-sulfanylidenemethyl]hexanehydrazonic acid ethyl ester IUPAC Name: ethyl (1Z)-N-[[4-(2-cyanophenyl)phenyl]methylcarbamothioyl]hexanehydrazonate Traditional Name: (1Z)-N-[[4-(2-cyanophenyl)benzyl]thiocarbamoyl]hexanehydrazonic acid ethyl ester Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=NNC(=S)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N)OCC

Isomeric SMILES

CCCCC/C(=N/NC(=S)NCC1=CC=C(C=C1)C2=CC=CC=C2C#N)/OCC

InChI

InChI=1S/C23H28N4OS/c1-3-5-6-11-22(28-4-2)26-27-23(29)25-17-18-12-14-19(15-13-18)21-10-8-7-9-20(21)16-24/h7-10,12-15H,3-6,11,17H2,1-2H3,(H2,25,27,29)/b26-22-