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

Systemtic Name: 3-methylbutyl 2-[1-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[[(E)-3-(p-tolyl)prop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(p-tolyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCC(C)C

InChI

InChI=1S/C22H29N3O4S/c1-15(2)10-13-29-20(27)14-18-21(28)23-11-12-25(18)22(30)24-19(26)9-8-17-6-4-16(3)5-7-17/h4-9,15,18H,10-14H2,1-3H3,(H,23,28)(H,24,26,30)/b9-8+