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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C26H34N4OS MolecularWeight: 450.63936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H34N4OS/c31-25(27-23-12-6-2-7-13-23)21-32-26(28-24-14-8-3-9-15-24)30-18-16-29(17-19-30)20-22-10-4-1-5-11-22/h1,3-5,8-11,14-15,23H,2,6-7,12-13,16-21H2,(H,27,31)