4-tert-butyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H26N4O3S/c1-5-18(27)23-17-12-8-15(9-13-17)20(29)25-26-21(30)24-19(28)14-6-10-16(11-7-14)22(2,3)4/h6-13H,5H2,1-4H3,(H,23,27)(H,25,29)(H2,24,26,28,30)