2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide

Systemtic Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl-methyl-amino]-N-phenethyl-benzamide CAS Name: 2-[[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-methylamino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl-methylamino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoyl-methyl-amino]-N-phenethyl-benzamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=C(C=C3)F

InChI

InChI=1S/C26H24FN3O2S/c1-30(26(33)29-24(31)16-13-20-11-14-21(27)15-12-20)23-10-6-5-9-22(23)25(32)28-18-17-19-7-3-2-4-8-19/h2-16H,17-18H2,1H3,(H,28,32)(H,29,31,33)/b16-13+