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

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C19H25N3O4S2/c1-13(2)7-10-26-17(24)12-15-18(25)20-8-9-22(15)19(27)21-16(23)6-5-14-4-3-11-28-14/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,20,25)(H,21,23,27)/b6-5+