(E)-3-naphthalen-1-yl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-naphthalen-1-yl-N-[[[4-(propanoylamino)phenyl]carbonylamino]carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(1-naphthyl)-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]prop-2-enamide CAS Name: (E)-3-(1-naphthalenyl)-N-[[[oxo-[4-(1-oxopropylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-naphthalen-1-yl-N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(1-naphthyl)-N-[[(4-propionamidobenzoyl)amino]thiocarbamoyl]acrylamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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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=CC3=CC=CC=C32

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C24H22N4O3S/c1-2-21(29)25-19-13-10-18(11-14-19)23(31)27-28-24(32)26-22(30)15-12-17-8-5-7-16-6-3-4-9-20(16)17/h3-15H,2H2,1H3,(H,25,29)(H,27,31)(H2,26,28,30,32)/b15-12+