propan-2-yl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[(1-oxohexylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-(hexanoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(caproylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C16H27N3O4S MolecularWeight: 357.46828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OC(C)C

Isomeric SMILES

CCCCCC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OC(C)C

InChI

InChI=1S/C16H27N3O4S/c1-4-5-6-7-13(20)18-16(24)19-9-8-17-15(22)12(19)10-14(21)23-11(2)3/h11-12H,4-10H2,1-3H3,(H,17,22)(H,18,20,24)/t12-/m0/s1