N-[3-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]-2-methyl-propanamide

Systemtic Name: N-[3-[2-(3,4-dimethylphenoxy)ethanoylcarbamothioylamino]phenyl]-2-methyl-propanamide Openeye Name: N-[3-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]-2-methyl-propanamide CAS Name: N-[3-[[[[2-(3,4-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[3-[[2-(3,4-dimethylphenoxy)acetyl]carbamothioylamino]phenyl]-2-methylpropanamide Traditional Name: N-[3-[[2-(3,4-dimethylphenoxy)acetyl]thiocarbamoylamino]phenyl]-2-methyl-propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C(C)C)C

InChI

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