[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(4-isopropylanilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-oxo-2-(4-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-ylanilino)ethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid (2-cumidino-2-keto-ethyl) ester Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-17(2)18-10-12-20(13-11-18)23-21(26)16-27-22(25-14-6-7-15-25)24-19-8-4-3-5-9-19/h3-5,8-13,17H,6-7,14-16H2,1-2H3,(H,23,26)