9-[4-[(4-chlorophenyl)thiocarbamoyl]piperazin-1-yl]-2-ethyl-5-oxo-2,8,10-triazabicyclo[4.4.0]deca-3,6,8,10-tetraene-4-carboxylic acid
Molecular Formula:
C21H21ClN6O3S
InChI: InChI=1/C21H21ClN6O3S/c1-2-26-12-16(19(30)31)17(29)15-11-23-20(25-18(15)26)27-7-9-28(10-8-27)21(32)24-14-5-3-13(22)4-6-14/h3-6,11-12H,2,7-10H2,1H3,(H,24,32)(H,30,31)/f/h24,30H
InChIKey: InChIKey=NMACYVKZIUOPJV-VPAXAAOTCZ
SMILES: CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)Cl)C(=O)O
Names:
9-[4-[(4-chlorophenyl)thiocarbamoyl]piperazin-1-yl]-2-ethyl-5-oxo-2,8,10-triazabicyclo[4.4.0]deca-3,6,8,10-tetraene-4-carboxylic acid
Registries:
PubChem CID 2025521
PubChem ID 4835673
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