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:
Databases
MetaCyc:
CPD-20812
PubChem (CID):
10046449