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

Systemtic Name: tert-butyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(E)-3-phenylacryloyl]thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)25-18(24)22-13-11-21(12-14-22)17(26)20-16(23)10-9-15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3,(H,20,23,26)/b10-9+