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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-3-oxo-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-3-oxo-1-[[(E)-3-phenylprop-2-enoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[[(E)-3-phenylacryloyl]thiocarbamoyl]piperazin-2-yl]acetic acid butyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4S/c1-2-3-13-27-18(25)14-16-19(26)21-11-12-23(16)20(28)22-17(24)10-9-15-7-5-4-6-8-15/h4-10,16H,2-3,11-14H2,1H3,(H,21,26)(H,22,24,28)/b10-9+/t16-/m0/s1