2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[(4-chloranyl-2,5-dimethoxy-phenyl)carbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)carbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[(4-chloro-2,5-dimethoxyanilino)-sulfanylidenemethyl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[(4-chloro-2,5-dimethoxyphenyl)carbamothioyl-ethylamino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[(4-chloro-2,5-dimethoxy-phenyl)thiocarbamoyl-ethyl-amino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NC2=CC(=C(C=C2OC)Cl)OC

InChI

InChI=1S/C21H26ClN3O3S/c1-6-25(12-19(26)24-20-13(2)8-7-9-14(20)3)21(29)23-16-11-17(27-4)15(22)10-18(16)28-5/h7-11H,6,12H2,1-5H3,(H,23,29)(H,24,26)