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

Systemtic Name: butyl 2-[1-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-4-13-28-19(26)14-17-20(27)22-11-12-24(17)21(29)23-18(25)10-9-16-7-5-15(2)6-8-16/h5-10,17H,3-4,11-14H2,1-2H3,(H,22,27)(H,23,25,29)/b10-9+