2,2-dimethyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide Openeye Name: 2,2-dimethyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-[(1-oxo-3-phenylpropyl)amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-(hydrocinnamoylamino)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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