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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S2/c1-2-3-10-25-16(23)12-14-17(24)19-8-9-21(14)18(26)20-15(22)7-6-13-5-4-11-27-13/h4-7,11,14H,2-3,8-10,12H2,1H3,(H,19,24)(H,20,22,26)/b7-6+/t14-/m0/s1