[2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C23H31N3OS MolecularWeight: 397.57674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CCN(C1)C(=NC2=CC=CC=C2)SCC(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H31N3OS/c27-21(25-22-18-11-16-10-17(13-18)14-19(22)12-16)15-28-23(26-8-4-5-9-26)24-20-6-2-1-3-7-20/h1-3,6-7,16-19,22H,4-5,8-15H2,(H,25,27)