[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3)C

InChI

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