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

Systemtic Name: phenethyl 2-[3-oxidanylidene-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[3-oxo-1-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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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=CS3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H23N3O4S2/c26-19(9-8-17-7-4-14-31-17)24-22(30)25-12-11-23-21(28)18(25)15-20(27)29-13-10-16-5-2-1-3-6-16/h1-9,14,18H,10-13,15H2,(H,23,28)(H,24,26,30)/b9-8+