[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] N-phenylpyrrolidine-1-carboximidothioate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] N-phenylpyrrolidine-1-carboximidothioate CAS Name: N-phenyl-1-pyrrolidinecarboximidothioic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] N-phenylpyrrolidine-1-carboximidothioate Traditional Name: N-phenylpyrrolidine-1-carboximidothioic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)CSC(=NC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H25N3O3S/c1-26-17-10-11-19(27-2)18(14-17)23-20(25)15-28-21(24-12-6-7-13-24)22-16-8-4-3-5-9-16/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,23,25)