2-[2-(4-chlorophenyl)ethylcarbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(4-chlorophenyl)ethylcarbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[2-(4-chlorophenyl)ethylcarbamothioyl-ethyl-amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[[2-(4-chlorophenyl)ethylamino]-sulfanylidenemethyl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[2-(4-chlorophenyl)ethylcarbamothioyl-ethylamino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[2-(4-chlorophenyl)ethylthiocarbamoyl-ethyl-amino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H26ClN3OS MolecularWeight: 403.96864

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC=C1C)C)C(=S)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H26ClN3OS/c1-4-25(14-19(26)24-20-15(2)6-5-7-16(20)3)21(27)23-13-12-17-8-10-18(22)11-9-17/h5-11H,4,12-14H2,1-3H3,(H,23,27)(H,24,26)