(3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H27N3OS MolecularWeight: 333.49148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC(=NC1=CC=CC=C1)N2CCN(CC2)C

Isomeric SMILES

CC(C)(C)C(=O)CSC(=NC1=CC=CC=C1)N2CCN(CC2)C

InChI

InChI=1S/C18H27N3OS/c1-18(2,3)16(22)14-23-17(19-15-8-6-5-7-9-15)21-12-10-20(4)11-13-21/h5-9H,10-14H2,1-4H3