(E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Openeye Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide CAS Name: (E)-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-(4-fluorophenyl)-2-propenamide IUPAC Name: (E)-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide Traditional Name: (E)-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-3-(4-fluorophenyl)acrylamide Formula: C21H22FN3O2S MolecularWeight: 399.481683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O2S/c1-21(2,3)16-9-7-15(8-10-16)19(27)24-25-20(28)23-18(26)13-6-14-4-11-17(22)12-5-14/h4-13H,1-3H3,(H,24,27)(H2,23,25,26,28)/b13-6+