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

Systemtic Name: ethyl 1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C=CC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CC=C2Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-2-24-17(23)14-9-11-21(12-10-14)18(25)20-16(22)8-7-13-5-3-4-6-15(13)19/h3-8,14H,2,9-12H2,1H3,(H,20,22,25)/b8-7+