welwitindolinone B isothiocyanate
Chemical Formula:
C21H21N2O2SCL
Molecular Weight:
400.922 Daltons
Monoisotopic Mass:
400.1012263287 Daltons
SMILES:
C=CC4(C)(C1(N=C=S)(C(=O)[CH](C(C)(C)[CH]3(C(NC2(C=CC=C1C=23))=O))CC(Cl)4))
InChI:
1S/C21H21ClN2O2S/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/h5-8,12,14,16H,1,9H2,2-4H3,(H,24,26)/t12-,14+,16+,20+,21+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-20810
PubChem (CID):
122228561