phenethyl 2-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[1-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[(E)-3-(2-furyl)acryloyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)C=CC3=CC=CO3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CO3

InChI

InChI=1S/C22H23N3O5S/c26-19(9-8-17-7-4-13-29-17)24-22(31)25-12-11-23-21(28)18(25)15-20(27)30-14-10-16-5-2-1-3-6-16/h1-9,13,18H,10-12,14-15H2,(H,23,28)(H,24,26,31)/b9-8+