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

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid (2-keto-2-mesidino-ethyl) ester Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3)C

InChI

InChI=1S/C22H27N3OS/c1-16-13-17(2)21(18(3)14-16)24-20(26)15-27-22(25-11-7-8-12-25)23-19-9-5-4-6-10-19/h4-6,9-10,13-14H,7-8,11-12,15H2,1-3H3,(H,24,26)