butyl 2-[1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-p-phenetylacryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid butyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O5S/c1-3-5-14-30-20(27)15-18-21(28)23-12-13-25(18)22(31)24-19(26)11-8-16-6-9-17(10-7-16)29-4-2/h6-11,18H,3-5,12-15H2,1-2H3,(H,23,28)(H,24,26,31)/b11-8+