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

Systemtic Name: 2-methylpropyl 2-[1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC(C)C

InChI

InChI=1S/C22H29N3O5S/c1-4-29-17-8-5-16(6-9-17)7-10-19(26)24-22(31)25-12-11-23-21(28)18(25)13-20(27)30-14-15(2)3/h5-10,15,18H,4,11-14H2,1-3H3,(H,23,28)(H,24,26,31)/b10-7+