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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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