4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(1-oxo-3-phenylpropyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3-phenylpropanoylamino)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(hydrocinnamoylamino)thiocarbamoyl]benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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