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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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