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

Systemtic Name: dodecyl 2-[3-oxidanylidene-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C28H41N3O4S MolecularWeight: 515.70784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C28H41N3O4S/c1-2-3-4-5-6-7-8-9-10-14-21-35-26(33)22-24-27(34)29-19-20-31(24)28(36)30-25(32)18-17-23-15-12-11-13-16-23/h11-13,15-18,24H,2-10,14,19-22H2,1H3,(H,29,34)(H,30,32,36)/b18-17+