N-(2,6-dimethylphenyl)-2-[(2-ethoxyphenyl)carbamothioyl-ethyl-amino]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(2-ethoxyphenyl)carbamothioyl-ethyl-amino]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[(2-ethoxyphenyl)carbamothioyl-ethyl-amino]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[[(2-ethoxyanilino)-sulfanylidenemethyl]-ethylamino]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(2-ethoxyphenyl)carbamothioyl-ethylamino]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[ethyl(o-phenetylthiocarbamoyl)amino]acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC=CC=C2OCC

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC=CC=C2OCC

InChI

InChI=1S/C21H27N3O2S/c1-5-24(14-19(25)23-20-15(3)10-9-11-16(20)4)21(27)22-17-12-7-8-13-18(17)26-6-2/h7-13H,5-6,14H2,1-4H3,(H,22,27)(H,23,25)