[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2OS/c1-23(2,3)19-13-11-18(12-14-19)21(26)17-27-22(25-15-7-8-16-25)24-20-9-5-4-6-10-20/h4-6,9-14H,7-8,15-17H2,1-3H3