N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-(2-methylphenyl)ethanamide

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-(o-tolyl)acetamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylphenyl)acetamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C)C

InChI

InChI=1S/C21H25N3O3S/c1-13-9-10-18(11-15(13)3)27-16(4)20(26)23-24-21(28)22-19(25)12-17-8-6-5-7-14(17)2/h5-11,16H,12H2,1-4H3,(H,23,26)(H2,22,24,25,28)