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

Systemtic Name: ethyl 1-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoyl]nipecotic acid ethyl ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC(=O)C=CC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC(=O)/C=C/C2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2O3S/c1-2-24-17(23)14-4-3-11-21(12-14)18(25)20-16(22)10-7-13-5-8-15(19)9-6-13/h5-10,14H,2-4,11-12H2,1H3,(H,20,22,25)/b10-7+