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

Systemtic Name: ethyl 2-[3-oxidanylidene-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S2/c1-2-23-14(21)10-12-15(22)17-7-8-19(12)16(24)18-13(20)6-5-11-4-3-9-25-11/h3-6,9,12H,2,7-8,10H2,1H3,(H,17,22)(H,18,20,24)/b6-5+