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

Systemtic Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoyl]-3-phenyl-propionamide 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)CCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C21H25N3O3S/c1-14-9-11-18(13-15(14)2)27-16(3)20(26)23-24-21(28)22-19(25)12-10-17-7-5-4-6-8-17/h4-9,11,13,16H,10,12H2,1-3H3,(H,23,26)(H2,22,24,25,28)