ethyl 1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[(E)-3-(1-naphthyl)prop-2-enoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(E)-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[(E)-3-(1-naphthyl)acryloyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C=CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)/C=C/C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O3S/c1-2-27-21(26)18-12-14-24(15-13-18)22(28)23-20(25)11-10-17-8-5-7-16-6-3-4-9-19(16)17/h3-11,18H,2,12-15H2,1H3,(H,23,25,28)/b11-10+