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

Systemtic Name: 3-phenylpropyl 2-[3-oxidanylidene-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4S/c29-22(14-13-20-10-5-2-6-11-20)27-25(33)28-16-15-26-24(31)21(28)18-23(30)32-17-7-12-19-8-3-1-4-9-19/h1-6,8-11,13-14,21H,7,12,15-18H2,(H,26,31)(H,27,29,33)/b14-13+