ethyl 1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-2-26-17(23)14-9-11-20(12-10-14)18(27)19-16(22)8-5-13-3-6-15(7-4-13)21(24)25/h3-8,14H,2,9-12H2,1H3,(H,19,22,27)/b8-5+