butyl 2-[(2S)-1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[[2-(4-methoxyphenyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid butyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H27N3O5S/c1-3-4-11-28-18(25)13-16-19(26)21-9-10-23(16)20(29)22-17(24)12-14-5-7-15(27-2)8-6-14/h5-8,16H,3-4,9-13H2,1-2H3,(H,21,26)(H,22,24,29)/t16-/m0/s1