cyclohexyl 2-[3-oxidanylidene-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[3-oxidanylidene-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[3-oxo-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-oxo-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-phenylacryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid cyclohexyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)NCCN2C(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c26-19(12-11-16-7-3-1-4-8-16)24-22(30)25-14-13-23-21(28)18(25)15-20(27)29-17-9-5-2-6-10-17/h1,3-4,7-8,11-12,17-18H,2,5-6,9-10,13-15H2,(H,23,28)(H,24,26,30)/b12-11+