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

Systemtic Name: ethyl 1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[(E)-3-p-phenetylacryloyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C20H26N2O4S/c1-3-25-17-8-5-15(6-9-17)7-10-18(23)21-20(27)22-13-11-16(12-14-22)19(24)26-4-2/h5-10,16H,3-4,11-14H2,1-2H3,(H,21,23,27)/b10-7+