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

Systemtic Name: propan-2-yl 2-[(2S)-3-oxidanylidene-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-3-oxo-1-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-3-oxo-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid isopropyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)/C=C/C2=CC=CS2

InChI

InChI=1S/C17H21N3O4S2/c1-11(2)24-15(22)10-13-16(23)18-7-8-20(13)17(25)19-14(21)6-5-12-4-3-9-26-12/h3-6,9,11,13H,7-8,10H2,1-2H3,(H,18,23)(H,19,21,25)/b6-5+/t13-/m0/s1