3-(2-chlorophenyl)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]propanamide

Systemtic Name: 3-(2-chlorophenyl)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]propanamide Openeye Name: 3-(2-chlorophenyl)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]propanamide CAS Name: 3-(2-chlorophenyl)-N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(2-chlorophenyl)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]propanamide Traditional Name: 3-(2-chlorophenyl)-N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]propionamide Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C21H24ClN3O3S/c1-13-8-10-17(12-14(13)2)28-15(3)20(27)24-25-21(29)23-19(26)11-9-16-6-4-5-7-18(16)22/h4-8,10,12,15H,9,11H2,1-3H3,(H,24,27)(H2,23,25,26,29)