2,2-dimethyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[3-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[3-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide Traditional Name: N-[[3-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)19(26)24-20(27)23-17-11-7-10-16(14-17)22-18(25)13-12-15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H2,23,24,26,27)