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

Systemtic Name: pentyl 2-[1-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-3-5-6-15-31-21(28)16-19-22(29)24-13-14-26(19)23(32)25-20(27)12-9-17-7-10-18(11-8-17)30-4-2/h7-12,19H,3-6,13-16H2,1-2H3,(H,24,29)(H,25,27,32)/b12-9+