[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-methyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: 4-methyl-N-phenyl-1-piperazinecarboximidothioic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-methyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-methyl-N-phenyl-piperazine-1-carboximidothioic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)C)C

InChI

InChI=1S/C22H28N4OS/c1-17-13-18(2)15-20(14-17)23-21(27)16-28-22(24-19-7-5-4-6-8-19)26-11-9-25(3)10-12-26/h4-8,13-15H,9-12,16H2,1-3H3,(H,23,27)