(E)-3-phenyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-phenyl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-3-phenyl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]acrylamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c1-2-17(25)21-16-11-9-15(10-12-16)19(27)23-24-20(28)22-18(26)13-8-14-6-4-3-5-7-14/h3-13H,2H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,28)/b13-8+