[2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-(2-adamantylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(2-adamantylamino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(2-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-adamantylamino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(2-adamantylamino)-2-keto-ethyl] ester Formula: C30H38N4OS MolecularWeight: 502.71392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=NC3=CC=CC=C3)SCC(=O)NC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C30H38N4OS/c35-28(32-29-25-16-23-15-24(18-25)19-26(29)17-23)21-36-30(31-27-9-5-2-6-10-27)34-13-11-33(12-14-34)20-22-7-3-1-4-8-22/h1-10,23-26,29H,11-21H2,(H,32,35)