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

Systemtic Name: 3-methylbutyl 2-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[[(E)-3-(2-furyl)prop-2-enoyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(E)-3-(2-furanyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[(E)-3-(2-furyl)acryloyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CO2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CO2

InChI

InChI=1S/C19H25N3O5S/c1-13(2)7-11-27-17(24)12-15-18(25)20-8-9-22(15)19(28)21-16(23)6-5-14-4-3-10-26-14/h3-6,10,13,15H,7-9,11-12H2,1-2H3,(H,20,25)(H,21,23,28)/b6-5+