tert-butyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H24FN3O3S MolecularWeight: 393.475563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C19H24FN3O3S/c1-19(2,3)26-18(25)23-12-10-22(11-13-23)17(27)21-16(24)9-6-14-4-7-15(20)8-5-14/h4-9H,10-13H2,1-3H3,(H,21,24,27)/b9-6+