benzyl-[2-[[2-[8-[(4-chlorophenyl)methylidene]-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl]acetyl]amino]ethyl]-propan-2-yl-azanium
Molecular Formula:
C29H31ClN3O2S+
InChI: InChI=1/C29H30ClN3O2S/c1-21(2)32(19-23-8-4-3-5-9-23)17-16-31-28(34)20-33-25-10-6-7-11-26(25)36-27(29(33)35)18-22-12-14-24(30)15-13-22/h3-15,18,21H,16-17,19-20H2,1-2H3,(H,31,34)/p+1/fC29H31ClN3O2S/h31-32H/q+1
InChIKey: InChIKey=PKHJGHLROMYTSB-KDUYIZSRCE
SMILES: CC(C)[NH+](CCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC=C(C=C3)Cl)C1=O)CC4=CC=CC=C4
Names:
benzyl-[2-[[2-[8-[(4-chlorophenyl)methylidene]-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-1,3,5-trien-10-yl]acetyl]amino]ethyl]-propan-2-yl-azanium
Registries:
PubChem CID 4130411
PubChem ID 6062937
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