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

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-16-9-8-10-17(2)20(16)23-19(25)15-26-21(24-13-6-7-14-24)22-18-11-4-3-5-12-18/h3-5,8-12H,6-7,13-15H2,1-2H3,(H,23,25)