2-[(2,5-dimethoxyphenyl)carbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[(2,5-dimethoxyphenyl)carbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[(2,5-dimethoxyphenyl)carbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(2,5-dimethoxyphenyl)carbamothioyl-ethylamino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(2,5-dimethoxyphenyl)thiocarbamoyl-ethyl-amino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-6-24(13-19(25)23-20-14(2)8-7-9-15(20)3)21(28)22-17-12-16(26-4)10-11-18(17)27-5/h7-12H,6,13H2,1-5H3,(H,22,28)(H,23,25)