(2Z)-N-(2-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyano-propanamide

Systemtic Name: (2Z)-N-(2-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyano-propanamide Openeye Name: (2Z)-N-(2-adamantyl)-2-(carbamothioylhydrazono)-3-(4-chlorophenyl)-3-cyano-propanamide CAS Name: (2Z)-N-(2-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyanopropanamide IUPAC Name: (2Z)-N-(2-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyanopropanamide Traditional Name: (2Z)-N-(2-adamantyl)-3-(4-chlorophenyl)-3-cyano-2-(thiocarbamoylhydrazono)propionamide Formula: C21H24ClN5OS MolecularWeight: 429.96616

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)C(=NNC(=S)N)C(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)/C(=N\NC(=S)N)/C(C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H24ClN5OS/c22-16-3-1-13(2-4-16)17(10-23)19(26-27-21(24)29)20(28)25-18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,11-12,14-15,17-18H,5-9H2,(H,25,28)(H3,24,27,29)/b26-19-