ethyl 3-[[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]amino]benzoate

Systemtic Name: ethyl 3-[[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-ethyl-carbamothioyl]amino]benzoate Openeye Name: ethyl 3-[[[2-(2,6-dimethylanilino)-2-oxo-ethyl]-ethyl-carbamothioyl]amino]benzoate CAS Name: 3-[[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylcarbamothioyl]amino]benzoate Traditional Name: 3-[[[2-(2,6-dimethylanilino)-2-keto-ethyl]-ethyl-thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C22H27N3O3S/c1-5-25(14-19(26)24-20-15(3)9-7-10-16(20)4)22(29)23-18-12-8-11-17(13-18)21(27)28-6-2/h7-13H,5-6,14H2,1-4H3,(H,23,29)(H,24,26)