N-(1-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyano-propanamide

Systemtic Name: N-(1-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyano-propanamide Openeye Name: N-(1-adamantyl)-2-(carbamothioylhydrazono)-3-(4-chlorophenyl)-3-cyano-propanamide CAS Name: N-(1-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyanopropanamide IUPAC Name: N-(1-adamantyl)-2-(carbamothioylhydrazinylidene)-3-(4-chlorophenyl)-3-cyanopropanamide Traditional Name: N-(1-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)(C3)NC(=O)C(=NNC(=S)N)C(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C(=NNC(=S)N)C(C#N)C4=CC=C(C=C4)Cl

InChI

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