welwitindolinone C isothiocyanate

Chemical Formula:

C₂₁H₁₉N₂O₂SCL

Molecular Weight:

398.906 Daltons

Monoisotopic Mass:

398.08557626450005 Daltons

SMILES:

C=CC4(C)(C1(N=C=S)(C(=O)[CH](C(C)(C)[CH]3(C(NC2(C=CC=C1C=23))=O))C=C(Cl)4))

InChI:

1S/C21H19ClN2O2S/c1-5-20(4)14(22)9-12-17(25)21(20,23-10-27)11-7-6-8-13-15(11)16(18(26)24-13)19(12,2)3/h5-9,12,16H,1H2,2-4H3,(H,24,26)/t12-,16+,20+,21+/m0/s1

InChIKey:

AVHUCHOOGRXBJM-CDHZIWFJSA-N

Databases

MetaCyc: CPD-20812

PubChem (CID): 10046449