[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] N-phenyl-4-(phenylmethyl)piperazine-1-carboximidothioate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-benzyl-N-phenyl-piperazine-1-carboximidothioate CAS Name: N-phenyl-4-(phenylmethyl)-1-piperazinecarboximidothioic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-benzyl-N-phenylpiperazine-1-carboximidothioate Traditional Name: 4-benzyl-N-phenyl-piperazine-1-carboximidothioic acid (2-keto-2-mesidino-ethyl) ester Formula: C29H34N4OS MolecularWeight: 486.67146

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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)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C29H34N4OS/c1-22-18-23(2)28(24(3)19-22)31-27(34)21-35-29(30-26-12-8-5-9-13-26)33-16-14-32(15-17-33)20-25-10-6-4-7-11-25/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,34)